Re: [AMBER] Replica Exchange

From: Dmitry Mukha <dvmukha.gmail.com>
Date: Tue, 13 Mar 2012 22:34:23 +0200

Hi, Rajendra,

try 'remd temperature' query in g**gle

2012/3/13 Rajendra Sharma <rajenbiotech.gmail.com>

> Dear All,
>
> I have to perform explicit solvent replica exchange simulations on a small
> peptide. I am not sure how to decide the number of replicas and
> temperatures. It would be of great help ifi get a tutorial or publication
> to perform the simulations.
>
> Sincerely,
>
> Rajendra
>
> --
> Rajendra Sharma
> Junior Research Fellow,
> Computational Biophysics,
> *National Center for Biological Sciences,*
> (Tata institute of Fundamental Research)
> India.
> Mobile No. +91-9950675288
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Sincerely,
Dmitry Mukha
Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Mar 13 2012 - 14:00:03 PDT
Custom Search