[AMBER] Question about FEP and GPU

From: TJ Mustard <mustardt.onid.orst.edu>
Date: Fri, 5 Nov 2010 15:26:54 -0700 (PDT)

   Hi all,

   Brand new to the AMBER mailing list and I have some questions about AMBER 11
   before the group buys a copy.

   1. Does AMBER 11 with GPU run FEP caculations?

   This is my biggest issue with GROMACS.

   2. If AMBER can do the above is the speed up similar to MD run speed

   We already use AMBER (antechamber, acpype, and gaussian) for our force
   fields, what we want is GPU speed, and that means FEP.

   Thank you,

   TJ Mustard
   Email: mustardt.onid.orst.edu
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Received on Fri Nov 05 2010 - 15:30:04 PDT
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