VMD-L Mailing List

From: Himanshu Khandelia (hkhandel_at_memphys.sdu.dk)
Date: Wed Jan 24 2007 - 05:54:51 CST

Can anyone please advise me how to alter the membrane.tcl script to use it
from my own user-defined directory location ? I tried to make the
following changes in the section of the script where I thought the
directory locations were specified. But this did not work.

################
    # set package WD and files
    global env
    if ([info exists env(MEMBRANEDIR)]) {
# set psffile $env(MEMBRANEDIR)/${lipid}_box.psf
# set pdbfile $env(MEMBRANEDIR)/${lipid}_box.pdb
# set topfile $env(MEMBRANEDIR)/top_all27_prot_lipid.inp
       set pdbfile ~/${lipid}_box.pdb
       set psffile ~/${lipid}_box.psf
       set topfile ~/top_all27_prot_lipid.inp
    } else {
# set psffile [file normalize [file dirname [info
script]]]/${lipid}_box.psf
# set pdbfile [file normalize [file dirname [info
script]]]/${lipid}_box.pdb
# set topfile $env(MEMBRANEDIR)/top_all27_prot_lipid.inp
       set pdbfile ~/${lipid}_box.pdb
       set psffile ~/${lipid}_box.psf
       set topfile ~/top_all27_prot_lipid.inp
    }
    set tempfile temp
################

P.S: I was not able to modify the topology file or the membrane.tcl script
in its original location
(/usr/local/lib/vmd/plugins/noarch/tcl/membrane1.0/) because of permission
problems.

Thank you very much for the help,

-Himanshu