Recent changes to MigrationGuide0102

WikiPage MigrationGuide0102 modified by Nobuyuki MATUBAYASI

Nobuyuki MATUBAYASI — Fri, 30 Mar 2012 08:12:28 -0000

--- v2 
+++ v3 
@@ -6,8 +6,8 @@
 * Directory name is now ermod-0.2.x instead of  enerepr-0.1.x
 * ermod_namd and ermod_gromacs is merged into a single file, ermod.
 * Users for NAMD version should also set ERMOD_PLUGINS environment variable.
-    * If you install program by make install you don't have to do anythiing. This is a recommended usage.
-    * If not, set environment variable *every time before you run the program*. In the below the extracted directory is assumed to be /path/to/ermod-0.2.x.
+    * If you install program by make install you don't have to do anythiing. This is the recommended usage.
+    * If not, set environment variable **every time before you run the program**. In the below the extracted directory is assumed to be /path/to/ermod-0.2.x.
         * For sh/bash/zsh, export ERMOD_PLUGINS=/path/to/ermod-0.2.x/vmdplugins/libexec
         * For csh/tcsh, setenv ERMOD_PLUGINS /path/to/ermod-0.2.x/vmdplugins/libexec
 * Users for GROMACS version should run new version of gen_structure and gen_input to update input files to the latest format.

WikiPage MigrationGuide0102 modified by Shun Sakuraba

Shun Sakuraba — Thu, 29 Mar 2012 07:06:50 -0000

--- v1 
+++ v2 
@@ -8,8 +8,8 @@
 * Users for NAMD version should also set ERMOD_PLUGINS environment variable.
     * If you install program by make install you don't have to do anythiing. This is a recommended usage.
     * If not, set environment variable *every time before you run the program*. In the below the extracted directory is assumed to be /path/to/ermod-0.2.x.
-        * For sh/bash/zsh, export ERMOD_PLUGINS=/path/to/ermod-0.2.x/vmdplugins/libexec
-        * For csh/tcsh, setenv ERMOD_PLUGINS /path/to/ermod-0.2.x/vmdplugins/libexec
+        * For sh/bash/zsh, export ERMOD_PLUGINS=/path/to/ermod-0.2.x/vmdplugins/libexec
+        * For csh/tcsh, setenv ERMOD_PLUGINS /path/to/ermod-0.2.x/vmdplugins/libexec
 * Users for GROMACS version should run new version of gen_structure and gen_input to update input files to the latest format.
 * Values in weight_soln may be different from that obtained in ver. 0.1.
 * Changed random number generator to RANDOM_NUMBER() provided by Fortran compiler. Several values in reference system may be different from 0.1 because of this change (and changes in parallelization scheme).

WikiPage MigrationGuide0102 modified by Shun Sakuraba

Shun Sakuraba — Thu, 29 Mar 2012 07:04:24 -0000

Migration guide from ver. 0.1 to 0.2 ==== The following points are different from ver. 0.1: * Directory name is now ermod-0.2.x instead of enerepr-0.1.x * ermod_namd and ermod_gromacs is merged into a single file, ermod. * Users for NAMD version should also set ERMOD_PLUGINS environment variable. * If you install program by make install you don't have to do anythiing. This is a recommended usage. * If not, set environment variable *every time before you run the program*. In the below the extracted directory is assumed to be /path/to/ermod-0.2.x. * For sh/bash/zsh,

export ERMOD_PLUGINS=/path/to/ermod-0.2.x/vmdplugins/libexec

* For csh/tcsh,

setenv ERMOD_PLUGINS /path/to/ermod-0.2.x/vmdplugins/libexec

* Users for GROMACS version should run new version of gen_structure and gen_input to update input files to the latest format. * Values in weight_soln may be different from that obtained in ver. 0.1. * Changed random number generator to RANDOM_NUMBER() provided by Fortran compiler. Several values in reference system may be different from 0.1 because of this change (and changes in parallelization scheme). * "corref" file is now output in binary format and is incompatible with old style format. * Reference system computation now produces "progress.tt". The file contains the processed frame in the simulation.