[gmx-users] Replica exchange with scaled topology files

Sai Pooja saipooja at gmail.com
Wed Nov 3 15:53:52 CET 2010


I am running a the gromacs Replica exchange (NVT). However along with the
temperatures, I have also scaled a few paramters in the topology file for
each of the replicas for generating the .tpr files. Everything seems to be
running fine but is this a valid thing to do? Or would gromacs simply ignore
those differences?
Quaerendo Invenietis-Seek and you shall discover.
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