[AMBER] Minimization and equilibration with SANDER.MPI and production with PMEMD.cuda ??

From: Hirdesh Kumar <hirdesh.iitd.gmail.com>
Date: Tue, 12 Aug 2014 16:09:58 +0200

Hi,
I checked that ibelly is not applicable with PMEMD so in order to put
restrain on my protein during minimization and heating, I am using
sander.MPI ..

And once it is equilibrated, I used PMEMD.cuda to run the actually
production. Is it acceptable ?

Thanks,
Hirdesh
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Received on Tue Aug 12 2014 - 07:30:03 PDT