Re: regarding psfgen algorithm

From: Jerome Henin (heninj_at_gmail.com)
Date: Thu Jun 18 2009 - 10:07:36 CDT

Prasun,

Your first message did not get an answer because it did not ask a
precise, specific question. Taking your message literally: if what you
actually want is to understand the algorithm, you should study the
source code of psfgen. This is probably not the answer you wanted,
though.

People on this list have limited time, so help us help you.

Best,
Jerome

On Thu, Jun 18, 2009 at 4:50 AM, Benjamin
Bouvier<benjamin.bouvier_at_ibcp.fr> wrote:
> Prasun,
>
> Such broad questions are textbook stuff, not something you'll see answered
> on a mailing list.
> I suggest you download and read the first part of the Gromacs manual
> (gromacs.org), which is a very good introduction to force fields, topologies
> and MD.
>
>
> On Thu, 18 Jun 2009 06:59:58 +0200, prasun kumar <prasun30_at_gmail.com> wrote:
>
>> Respected all
>>
>> can any one please help  me in understanding the algorithm NAMD is using
>> to
>> generate psf file and adding hydrogen(psfgen). I have tried so many times,
>> but not getting the basic idea.
>> Please help me out.
>> thanx in advance
>> with regards
>> PRASUN (ASHOKA)
>
>
>
> --
> Benjamin
>
>

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