[AMBER] Steered Molecular Dynamics

From: Fair, Ryan <rxf435.miami.edu>
Date: Mon, 11 Jul 2016 16:05:38 +0000

Team Amber users,

I’m running simulations on a dimer system, and I’m trying to figure out a way to use sMD to simulate a separation of the entire dimer into two pieces. So far the only thing I’ve been able to do using sMD is drive two individual atoms apart. Is it possible to use sander to pull on a large number of atoms instead of just one?

Thank you for your time,
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Received on Mon Jul 11 2016 - 09:30:02 PDT
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