Re: [AMBER] number of solvent molecule around solute

From: Adrian Roitberg <roitberg.qtp.ufl.edu>
Date: Wed, 13 Jul 2011 12:21:41 +0200

read the ptraj manual and look at the amber tutorials please.

Adrian


On 7/13/11 11:56 AM, subrata paul wrote:
> Dear amber user,
>
> I am simulating a system having disaccharide and water. Now i want calculate
> number of water molecule around a solute or number of hbond water molecule
> around a solute. how i calculate this ??
>
>
>
>
> thanking you
> subrata
> IITG
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>

-- 
                            Dr. Adrian E. Roitberg
                              Full Professor
                Quantum Theory Project, Department of Chemistry
                            University of Florida
on Sabbatical in Barcelona until August 2011.
Email roitberg.ufl.edu
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Received on Wed Jul 13 2011 - 03:30:03 PDT