Re: molecular dynamics simulation

From: Roman Petrenko (
Date: Thu Nov 05 2009 - 10:27:14 CST

Welcome to NAMD world!

The best place to start is to read "NAMD user guide", "VMD user guide"
and, perhaps, go over a couple of "NAMD Tutorials", especially written
for the beginners. Just google the phrases in quotes to get the
location of those documents.

On Thu, Nov 5, 2009 at 5:35 AM, ipsita basu <> wrote:
> Dear all,
>             I am very new to NAMD. I want to run simulations using it.
> During installation of namd, some files of examples of scripting are also
> installed. From those files, I can understand that psf,pdb,parameter files
> are needed initially. But I can not understand the whole scripting. Will you
> please give me more clear idea how I can start heating, equilibration and
> dynamics. I really need your help.
> Thanking You
> Ipsita Basu
> --
> Ipsita Basu
> Research Fellow
> c/o : Dr. Chaitali Mukhopadhyay
> Rajabazar Science College
> 92 APC Road
> Kolkata - 700009

Roman Petrenko
Physics Department
University of Cincinnati

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