[AMBER] Using PLUMED to Calculate Collective Variables and GaMD Reweighting in Amber

From: Munazzah Fatima Ansari via AMBER <amber.ambermd.org>
Date: Fri, 01 Mar 2024 19:05:14 +0530

Hello,

I am studying a system with the method GaMD in Amber. Can I calculate
collective variables like ALPHARMSD, BETARMSD, etc. from the Plumed? And
then reweight with the GaMD, AMD reweighting methods?

Thanks in advance.

Regards,
Munazzah
PhD Student
HBNI-BARC

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Received on Fri Mar 01 2024 - 06:00:02 PST