Re: GaMD in NAMD

From: Francesco Pietra (
Date: Sun Jun 18 2017 - 01:04:59 CDT

Be careful. Re-read the paper with GaMD implemented in NAMD, cheeking
whether it could potentailly solve your need, and compare with ABF and FEP
(about which there is far more experience) before embarking in what could
well later be disappointing (after huge amount of work)


On Sat, Jun 17, 2017 at 10:16 PM, Chitrak Gupta <> wrote:

> Hello,
> I was wondering if anyone has worked with GaMD in NAMD 2.12 or the latest
> nightly build of NAMD. When I try it, all the GaMD options are ignored and
> the job crashes. Is there any tutorial on how to get this to work?
> Regards,
> Chitrak.

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