[AMBER] MM/PBSA & MM/GBSA and three trajectories

From: Ibrahim Said via AMBER <amber.ambermd.org>
Date: Sun, 20 Nov 2022 22:13:11 +0200

Dear AMBER Fans
I am comparing the binding affinity of a peptide on three different
viruses. These MD simulation approaches involve a conformational change.
Therefore, I used 3T-MM/PBSA and MM/GBSA approach. But I can not find the
command-line to apply the three trajectories. Please, any help will be
appreciated.
Best Regards,
Ibrahim
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Received on Sun Nov 20 2022 - 12:30:03 PST