[AMBER] Boost parameters for Accelerated MD

From: Enrico Martinez via AMBER <amber.ambermd.org>
Date: Fri, 10 Nov 2023 10:28:06 +0100

Dear Amber Users,

I am performing amd of water soluble protein considering the setup
proposed in the tutorial:


Do we have some trick to calculate all the boost parameters on-the-fly
(e.g. taking all the initial values from one file instead of looking
for different logs etc ) ?

What's about other protocols of the amd like GaMD ?

Many thanks in advance

With best regards


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Received on Fri Nov 10 2023 - 01:30:03 PST
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