Hi All,
Is the REMD simulation useful for explicit solvent system. If so, then what
will be ensemble. I think simulation at high temperature in explicit
solvent require to allow volume fluctuation and therefore the reasonable
ensemble should be NPT. However, using AMBER REMD, most of the implicit
solvent system has been performed in NVT condition. But I want to apply it
in explicit solvent system. Any suggestion!
Best
Sudipta
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Received on Thu Mar 14 2013 - 10:30:02 PDT
