VMD-L Mailing List

From: Karteek K. Bejagam (karthik3327_at_gmail.com)
Date: Wed Apr 07 2021 - 12:55:49 CDT

Hello VMD users,

I am trying to write a tcl script for post-processing of LAMMPS MD
trajectory.
How can we read *residue names from psf file* and *coordinates from a dump
file. *

When I load them using VMD polymer.psf dump.lammpstrj, seems to be working
fine and I can execute the commands in TK console.

However, when I load them using text mode in a separate file, it does not
seem to work properly. These are the commands I am using

mol new polymer.psf waitfor all
mol addfile dump.lammpstrj waitfor all

Did anyone had such an issue and how can we fix this?

Thanks,
Karteek