From: yjcoshc (yjcoshc_at_gmail.com)
Date: Thu Dec 07 2017 - 19:22:06 CST
Hi, plumed only officially support NAMD 2.9. For later version I have
post a patch in plumed user group:
However I suggest running metadynamics in NAMD with its colvars module.
Both metadynamics algorithms in colvars and plumed are actually the
same, but their implementations may differ. The difference includes
energy units, SIGMA(plumed) vs hillWidth(colvars) and so on.
在 2017年12月08日 07:49, Rabeta Yeasmin 写道:
> Dear NAMD users,
> I am trying to run metadynamics in NAMD. I have searched online for
> related information. I have found one tutorial in NAMD tutorial and
> also found something like-running metadynamics using plumed version-
> in NAMD version-. I am wondering if these two methods are same or not.
> If yes, how am I going to use plumed with NAMD.
> Rabeta Yeasmin
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