[ESPResSo] Problem with write vtf, vcf, vsf and PDB
From:
samira jamalian
Subject:
[ESPResSo] Problem with write vtf, vcf, vsf and PDB
Date:
Thu, 11 Mar 2010 06:55:29 -0500
Dear Espresso Users and Developers,
I am using theses commands in a system in which my particles have bonds with each other. when ever I use each of these commands (whrite vtf, write vcf, write vsf or write PDB) I encounter the following error:
invalid command name "vtfpid(0)" while executing "vtfpid($from)" (procedure "writevsf" line 150) invoked from within "writevsf $vtfftile" (file "./Cell.tcl" line 152)
Cell.tcl is my file name and in line 152 I have written the writevsf command. I must add that when I use these commands in exampels which have lenard jones potential between particles and not bonds I can use these commands with no problem. Is this because I have bonds between my particles? How can I solve it? I realy need to create these files.