[AMBER] running qsub files in a single standalone workstation

From: ali akbar <akbar2181.gmail.com>
Date: Wed, 8 May 2019 10:02:49 +0430

Thanks for your reply. I am trying to calculate ligand-receptor binding
energy using FEW program (tutorial A24). The qsub files I have obtained are
qsub_equi.sh and qsub_MD.sh. I was wondering how can I get work these files
for MD simulation using standalone workstation system and how should I
change my *.pbs files?

Best Regards,
Ali Akbar
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Received on Tue May 07 2019 - 23:00:02 PDT
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