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
improvements?
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
