Thread: [Apbs-users] usemap error
Biomolecular electrostatics software
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From: Xiaoqing W. <kit...@12...> - 2007-02-08 14:23:34
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Dear, I want to use predefined dielectric maps, but i get the following error message: Vpmg_fillco: Off dielXMap at: Vpmg_fillco: (x,y,z) = (-16.5384,-48.533 -29.567) VASSERT: ASSERTION FAILURE! filename vpmg-setup.c, line 1207, (0) I am using "mg-para cglen fglen ......" in the calculation when i write and then read the maps. But i found that it only can write the dielectric maps include fine grids,am I right? So,I try to set the fine grids the same as the coarse grids for getting the maps include coarse grids. But the same errors appeared when i read the two maps and using "usemap 1 usemap 2". I wonder how to get the dielectric maps which include coarse grids or maps include both the coarse and fine grids? Is it one map include both two grids or two maps? If it is two maps ,how to use them? Thanks in advance! Sincerely, Xiaoqing Wang |
From: David G. <sd...@gm...> - 2007-02-08 14:39:30
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Hi Xiaoqing, Can you tell us what version of APBS you are using. =46rom the looks =20= of the error it appears to be an older version. We've recently fixed =20 a few issues relating to boundary conditions in APBS 0.5.0, so you =20 may want to try the latest version to see if the problem still exists. Let us know, Dave On Feb 8, 2007, at 8:23 AM, Xiaoqing Wang wrote: > Dear, > > I want to use predefined dielectric maps, but i get the following =20 > error message: > Vpmg_fillco: Off dielXMap at: > Vpmg_fillco: (x,y,z) =3D (-16.5384,-48.533 -29.567) > VASSERT: ASSERTION FAILURE! filename vpmg-setup.c, line 1207, (0) > > I am using "mg-para cglen fglen ......" in the calculation when i =20 > write and then read the maps. But i found that it only can write =20 > the dielectric maps include fine grids,am I right? So,I try to set =20 > the fine grids the same as the coarse grids for getting the maps =20 > include coarse grids. But the same errors appeared when i read the =20= > two maps and using "usemap 1 usemap 2". > > I wonder how to get the dielectric maps which include coarse grids =20 > or maps include both the coarse and fine grids? Is it one map =20 > include both two grids or two maps? If it is two maps ,how to use =20 > them? > > Thanks in advance! > Sincerely, > Xiaoqing Wang > > > =E6=83=B3=E5=8A=A0=E5=85=A5=E5=90=97=EF=BC=9F1.9=E4=BA=BF=E7=94=A8=E6=88= =B7=E6=AD=A3=E5=9C=A8=E4=BD=BF=E7=94=A8=E7=BD=91=E6=98=93=E9=82=AE=E7=AE=B1= www.126.com > ----------------------------------------------------------------------=20= > --- > Using Tomcat but need to do more? Need to support web services, =20 > security? > Get stuff done quickly with pre-integrated technology to make your =20 > job easier. > Download IBM WebSphere Application Server v.1.0.1 based on Apache =20 > Geronimo > http://sel.as-us.falkag.net/sel?=20 > cmd=3Dlnk&kid=3D120709&bid=3D263057&dat=3D121642________________________= ______=20 > _________________ > apbs-users mailing list > apb...@li... > https://lists.sourceforge.net/lists/listinfo/apbs-users David W. Gohara, Ph.D. Center for Computational Biology Washington University School of Medicine http://www.sbgrid.org http://www.macresearch.org 314-362-1583 (phone) <=3D=3D=3D NEW New Number 617-216-8616 (cell) |