[AMBER] Two sets of restraints on minimization?

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Thu, 24 Sep 2020 16:49:05 -0400

Hi all,

I was wondering if there is a simple way to use two sets of different
coordinate restraints in the same simulation (e.g. minimization). Something
akin to the ntr=1/restraintmask/restraint_wt combination, but that allows
to set, for example, a restraint_wt=5 for a group of atoms, and
restrain_wt=3 for a different group of atoms, during the same simulation.

Is that possible? If not, how would you suggest this could be done?

Gustavo Seabra.
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Received on Thu Sep 24 2020 - 14:00:02 PDT
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