Re: FEP triangular bracket average

From: Mert Gür (gurmert_at_gmail.com)
Date: Sat Apr 26 2008 - 13:14:29 CDT

Thanks a lot,
So NAMD does perform a single simulation for state A (or the hybrid
structure?) and evaluates the potential energies using a hybrid structure.
For both cases I have a question
1-If NAMD performs the simulation for state A ,how does it decide which
hybrid structure configurations correspond to the configurations of state A------=_Part_5048_18441153.1209233669106--

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