VMD-L Mailing List

From: Yamada, Masako (GE Global Research) (yamada_at_research.ge.com)
Date: Fri Feb 10 2012 - 09:41:49 CST

vmd -dispdev text

for "command line only" option

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of R. Charbel Maroun
Sent: Friday, February 10, 2012 6:27 AM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: Stand-alone VMD ?

Hello VMDers,

Is it possible to run VMD in stand-alone (non-graphical) mode ? Within a script, I just want to be able to read a .coor NAMD binary file and save it as an ASCII .pdb file for further use in NAMD.

An alternative question is, how can I get NAMD to write a .pdb file after an MD ? I tried writepdb <filename> in an NAMD script and it gives the following error:

------------- Processor 7 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Setting parameter writepdb from script failed!

I use VMD 1.9 and NAMD 2.8.

Cheers,

CM

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