https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_Initialize/Recent changes to Users.Programs.mol_InitializeenFri, 23 Nov 2012 13:56:14 -0000https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_Initialize/<pre>--- v14 +++ v15 @@ -1,7 +1,7 @@ mol_Initialize.m: Set force field parameters and initial values ========================================================= -This function should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan_1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software distribution but has to be provided by the user, taylored to the specific simulation needs. +This function should be run to initialize all the variables used in subsequent runs of [mol_ScanPot_1D.m](Users.Programs.mol_ScanPot_1D), [mol_Optimize.m](Users.Programs.mol_Optimize), [mol_Vibrations.m](Users.Programs.mol_Vibrations), and/or [mol_Dynamics.m](Users.Programs.mol_Dynamics). Note that mol_init.m is not part of the standard software distribution but has to be provided by the user, taylored to the specific simulation needs. * Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are essentially self-explaining. </pre>Burkhard SchmidtFri, 23 Nov 2012 13:56:14 -0000https://sourceforge.net1883b1bf57ec444a67572c56e5802205c1f18b78https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_Initialize/<pre>--- v13 +++ v14 @@ -1,4 +1,4 @@ -mol_init.m: Set force field parameters and initial values +mol_Initialize.m: Set force field parameters and initial values ========================================================= This function should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan_1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software distribution but has to be provided by the user, taylored to the specific simulation needs. </pre>Burkhard SchmidtFri, 23 Nov 2012 13:40:46 -0000https://sourceforge.net9b9739d38e132e5e885833888306269b01ece258https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_init/<pre>--- v12 +++ v13 @@ -1,7 +1,7 @@ mol_init.m: Set force field parameters and initial values ========================================================= -This script should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan_1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific simulation needs. +This function should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan_1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software distribution but has to be provided by the user, taylored to the specific simulation needs. * Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are essentially self-explaining. </pre>Burkhard SchmidtFri, 16 Nov 2012 13:34:03 -0000https://sourceforge.net9e47336402dab6aca25530aa4980f72deea006f8https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_init/<pre>--- v11 +++ v12 @@ -3,6 +3,6 @@ This script should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan_1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific simulation needs. -* Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are pretty much self-explaining. +* Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are essentially self-explaining. * Experienced users are referred to the [explanation of MolDynSim variables](Developers.Variables.Main) which is a part of the [Developers' Guide](Developers.Main) </pre>Burkhard SchmidtThu, 15 Nov 2012 13:59:51 -0000https://sourceforge.netd5976064af427f25d33fea0271827eb43b006110https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_init/<pre>--- v10 +++ v11 @@ -1,7 +1,7 @@ mol_init.m: Set force field parameters and initial values ========================================================= -This script should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific simulation needs. +This script should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan_1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific simulation needs. * Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are pretty much self-explaining. </pre>Burkhard SchmidtTue, 13 Nov 2012 17:16:29 -0000https://sourceforge.net500253c9bf151b56f5c7433ea428bd3e67ae4d49https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_init/<pre>--- v9 +++ v10 @@ -1,4 +1,8 @@ mol_init.m: Set force field parameters and initial values ========================================================= -This script should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific needs. Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are pretty much self-explaining. +This script should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific simulation needs. + +* Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are pretty much self-explaining. + +* Experienced users are referred to the [explanation of MolDynSim variables](Developers.Variables.Main) which is a part of the [Developers' Guide](Developers.Main) </pre>Burkhard SchmidtTue, 13 Nov 2012 17:15:41 -0000https://sourceforge.net7505c0d3c5e200055c4a2e291097102ef8e157a0https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_init/<pre>--- v8 +++ v9 @@ -1,4 +1,4 @@ mol_init.m: Set force field parameters and initial values ========================================================= -This script should be run to initialize all the variables used in subsequent runs of [mol_scan1D.m](Users.Programs.mol_scan1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific needs. Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are pretty much self-explaining. +This script should be run to initialize all the variables used in subsequent runs of [mol_scan_1D.m](Users.Programs.mol_scan1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific needs. Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are pretty much self-explaining. </pre>Burkhard SchmidtTue, 13 Nov 2012 17:11:26 -0000https://sourceforge.netf4aff5e9622e6516190ef34b731339c49a084386https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_init/<pre>--- v7 +++ v8 @@ -1,4 +1,4 @@ mol_init.m: Set force field parameters and initial values ========================================================= -This script should be run to initialize all the variables used in subsequent runs of [mol_scan1D.m](Users.Programs.mol_scan1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user. Un-experienced users are referred to the [demo examples](Demos.Main) which are pretty much self-explaining. +This script should be run to initialize all the variables used in subsequent runs of [mol_scan1D.m](Users.Programs.mol_scan1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user, taylored to the specific needs. Un-experienced users are referred to the [demo examples](Demos.Main) of MolDynSim which are pretty much self-explaining. </pre>Burkhard SchmidtTue, 13 Nov 2012 17:02:41 -0000https://sourceforge.net2aff94c8699cf0e4cfef241d1d741bc4c73eedb0https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_init/<pre></pre>Burkhard SchmidtTue, 13 Nov 2012 13:05:47 -0000https://sourceforge.net062a6a1da8e86fa7b498497fa0780be5fb2e0227https://sourceforge.net/p/trajlab/moldynsim/wiki/Users.Programs.mol_init/<pre>--- v5 +++ v6 @@ -1,4 +1,4 @@ mol_init.m: Set force field parameters and initial values ========================================================= -This script should be run to initialize all the variables used in subsequent runs of [mol_scan1D.m](Users.mol_scan1D), [mol_opt.m](Users.mol_opt), [mol_vib.m](Users.mol_vib), and/or [mol_dyn.m](Users.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user. Un-experienced users are referred to the [demo examples](Demos.Main) which are pretty much self-explaining. +This script should be run to initialize all the variables used in subsequent runs of [mol_scan1D.m](Users.Programs.mol_scan1D), [mol_opt.m](Users.Programs.mol_opt), [mol_vib.m](Users.Programs.mol_vib), and/or [mol_dyn.m](Users.Programs.mol_dyn). Note that mol_init.m is not part of the standard software but has to be provided by the user. Un-experienced users are referred to the [demo examples](Demos.Main) which are pretty much self-explaining. </pre>Burkhard SchmidtTue, 13 Nov 2012 11:25:41 -0000https://sourceforge.netf598a2c82e51a0a03ccc8af351bb250a31aa8e05