VMD-L Mailing List

From: R. Charbel Maroun (charbel.maroun_at_inserm.fr)
Date: Fri Feb 10 2012 - 05:26:38 CST

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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