[gmx-users] CHCl3 (My problem)

[Tanos C. C. França]

Dear Christoph Freudenberger,
      
      My problem is that I need to perform some ps of MD at 300 K of a
drug solvated in CHCl3 to compare the results to experimental ones
obtained from a NMR experiment. But I do not know yet, how to use genbox
to build a box of CHCl3 instead of a water box. 
      Thank you very much for your attention.
      Best regards,
      Tanos C. C. Franca
      IME – Rio de Janeiro – RJ
      Brazil
 
 
 
 
Message: 2
Date: Sat, 22 Mar 2003 17:11:19 +0100
From: Christoph Freudenberger
<christoph.freudenberger at chemie.uni-ulm.de>
Organization: University of Ulm
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] CHCl3 box
Reply-To: gmx-users at gromacs.org
 
Tanos C. C. Fran=E7a wrote:
> Or maybe someone else who knows=20
> that could help-me ?
 
What's your problem?
--=20
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
 
 
 

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