Dear all,
I am going to make free energy simulations of a protein via implicit solvent
(igb=5) on GPU. My question is whether gbsa still not applicable on
pmemd.cuda. Is there a way to implement gbsa consideration while runing on
GPUs? I have seen that a group from Stanford U. has managed to use such a
combination (although on a different platform called folding.home, they
should have developed a "patch" themselves). Seeing that I wanted to check
if there is any chance of applying gbsa+GPU combination.
Thanks,
Nihal
--
E. Nihal Korkmaz
Research Assistant
University of Wisconsin - Biophysics
Member of Qiang Cui & Thomas Record Labs
1101 University Ave, Rm. 8359
Madison, WI 53706
Phone: 608-265-3644
Email: korkmaz.wisc.edu
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Received on Tue Oct 04 2011 - 11:30:06 PDT
