Re: molecular dynamics simulation

From: ipsita basu (ibasu788_at_gmail.com)
Date: Thu Nov 05 2009 - 22:54:45 CST

Thank you very much.

On Thu, Nov 5, 2009 at 9:57 PM, Roman Petrenko <rpetrenko_at_gmail.com> wrote:

> 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 <ibasu788_at_gmail.com> 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
>

-- 
Ipsita Basu
Research Fellow
c/o : Dr. Chaitali Mukhopadhyay
Rajabazar Science College
92 APC Road
Kolkata - 700009

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