Re: [AMBER] Chloroform solvent model

From: <steinbrt.rci.rutgers.edu>
Date: Tue, 18 May 2010 03:55:56 -0400 (EDT)

Hi,

no need to make that yourself. Amber comes with a preequilibrated CHCl3
solvent box.

Do:

loadamberparams frcmod.chcl3
solvatebox <molecule> CHCL3BOX <size>

Thats all :-)

Thomas

On Tue, May 18, 2010 3:19 am, ashutosh shandilya wrote:
> Hi
> I want to do simulation of my drug molecule in chloroform solvent.how can
> I
> make the topology and coordinate file .I have done it in vacuum and
> water.So
> I would be grateful if someone can say the procedure.
> Thanks and regards
> Ashutosh Shandilya
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>


Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Tue May 18 2010 - 01:00:03 PDT
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