[gmx-users] Replica exchange with scaled topology files
Sai Pooja
saipooja at gmail.com
Wed Nov 3 15:53:52 CET 2010
Hi,
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?
Pooja
--
Quaerendo Invenietis-Seek and you shall discover.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101103/b3a6c790/attachment.html>
More information about the gromacs.org_gmx-users
mailing list