Re: about replica exchange

From: Jeff Comer (jeffcomer_at_gmail.com)
Date: Fri Oct 16 2015 - 16:17:13 CDT

Hi,

No you don't need a cluster. There's a tutorial:

http://www.ks.uiuc.edu/Training/Tutorials/

There are also some examples distributed with the NAMD source code
(lib/replica).

Jeff

–––––––––––––––––––––––––––––––––––———————
Jeffrey Comer, PhD
Assistant Professor
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
Phone: 785-532-6311

On Fri, Oct 16, 2015 at 10:43 AM, jc guo <guojc123_at_gmail.com> wrote:
> Dear namd users,
>
> I want to make use of replica exchange, is it only work for cluster? I could
> not use it for single node (even it run +p8 successful in my own computer?)
>
> actually I do not know how to find machine file as some state.
>
> Anyone help me? very appreciating for your help.

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