[gmx-users] constant protonation state MD

shahid nayeem msnayeem at gmail.com
Fri May 3 04:30:55 CEST 2013

Dear all

Can someone enlighten me on the reliability of the results obtained from
constant protonation state (assigned by different pKa value at different
pH) MD simulation. Also want to know its reliability in case of implicit
solvation model such as PB/GB calculation.


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