[gmx-users] REMD equilibration

francesco oteri francesco.oteri at gmail.com
Fri Mar 23 10:41:05 CET 2012

Dear gromacs users,
I have to perform REMD simulation, but since it is the first time I apply
this tecnique I have a question regarding system equilibration.
As far as I know, befaore starting the REMD each replica has to be
equlibrated. The equilibration has to be carried out in the NPT ensemble
or only in the NVT?

Thanks in advance, Francesco
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