VMD-L Mailing List

From: larac_at_berkeley.edu
Date: Mon Feb 07 2011 - 18:23:21 CST

Hi,

I am using VMD 1.8.7 and having trouble using the volmap command with ILS;
I am able to get an output for volmap coulomb, but not volmap ILS. I am
unable to use the plug-in because I am using AMBER instead of CHARMM
parameter
files. The command I use that fails is as follows:

vmd > volmap ils $sel -minmax {{-68 -77 -80} {68 77 80}} -dx output.dx

The error reads:
expected integer but got "atomselect9"volmap: molecule specified for
ouput is invalid. (-mol)

I am not sure where my syntax is wrong or if it is something about how I'm
loading the AMBER parameters. I am happy to provide more information if
helpful.

Any insight is very much appreciated!
Lara Collazo