Greetings Amber-ites
I was wondering if it is possible to run a simulation at:
Constant pH, Constant Pressure, Constant Temperature, small Quantum
Region, and implicit solvent.
Right now, it seems to me that I can not run implicit solvent and a
system at a given pressure.
so far I have run Constant P,T and quantum region in explicit solvent, I
have run constant pH with no
pressure, what subset of {pH, P,T, QM, Implicit Water} is possible to run?.
Regards
Eddie
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Received on Wed Oct 10 2007 - 06:07:37 PDT
