Re: Hamiltonian Replica Exchange MD Simulation in NAMD

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Tue Jan 27 2015 - 08:52:42 CST

Itís something we hope to add to a tutorial, but havenít yet. There are examples provides (I forget which directory exactly) in the NAMD download.

On Jan 23, 2015, at 4:04 PM, Fidan Sumbul <fidansumbul_at_gmail.com> wrote:

> Dear NAMD Users,
>
> I would like to start a Hamiltonian Replica Exchange Molecular Dynamics Simulation in NAMD. I searched through both the mail list and the tutorials in NAMD tutorials webpage. However, I could not find any source to begin with. I will appreciate if you send me a link or a tutorial file or juct a simple configuration file that I can follow to start a simulation in NAMD.
>
> Thank you in advance,
>
> Regards,
>
> --
> Fidan Sumbul
> PhD Student and T.A.
> Polymer Research Center
> Department of Chemical Engineering
> Bogazici University

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