VMD-L Mailing List

From: mdcooper (mdcooper_at_uvic.ca)
Date: Thu Sep 23 2004 - 12:55:09 CDT

Hi all,

I know this may seem much too easy, but I am having a surprisingly hard time
finding the answer.

I want to run an automated batch file which utilises VMD to set occupancy
values.

I want to run a simple .pgn file:

set allatoms [atomselect top all]
set ligand [atomselect top "resname NAD"
$allatoms set occupancy 0
$ligand set occupancy 1
$allatoms writepdb ".\\working\\smd.ref"
quit

and then have vmd quit so that the batch file may continue. I just cannot
figure out how to make VMD quit automatically.

Thanks,

Matt