[AMBER] Gaussian Accelerated Molecular Dynamics

From: Filip Fratev <fratev.biomed.bas.bg>
Date: Wed, 4 Nov 2015 20:31:40 +0200

Hi all,

  Recently I read the article ”Gaussian Accelerated Molecular Dynamics:
  Unconstrained Enhanced Sampling and Free Energy Calculation “J. Chem.
  Theory Comput., 2015, 11 (8), pp 3584–3595. The authors claim that
  this method can be easily adapted to Amber 14 and already present in
  Amber 12. However, I was wondering whether the GaMD version is really
  implemented in both Amber 12 and 14 because I have never seen
  something mentioned about the GaMD in the manuals?



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Received on Wed Nov 04 2015 - 11:00:03 PST
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