VMD-L Mailing List
From: Wang Yi (dexterwy_at_gmail.com)
Date: Tue Jul 17 2012 - 22:28:06 CDT
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Dear VMD users,
I was trying to use the text mode of VMD to calculate complex interaction energies from a series of long trajectories. I decided to submit the job to the cluster and let it run in batch mode. But I found an interesting problem -- the "namdenergy" command doesn't run at all when I run the job remotely.
First, I did include "package require namdenergy".
Secondly, the same tcl script, runs perfectly when I run it on the command line of the login-terminal.
Third, as long as the script is submitted to a remote computer node, VMD seems to have skipped namdenergy. No error message, program exited normally.
Has anyone seen this kind of behavior before?
Thanks.
___________________________
Yi (Yves) Wang
Duke University
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