Re: TIP4 water model NAMD

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Nov 26 2008 - 11:19:20 CST

mehdi,

you should not do this.
CHARMM has been parameterized for its own version of TIP3P
and using a different water potential would break the delicate
balance of parameters wrt solvation.

cheers,
   axel.

On 11/26/08, Mehdi Bagheri-Hamaneh <mehdi.bagheri-hamaneh_at_case.edu> wrote:
> Hi all,
>
> How can I use TIP4 water model in NAMD in conjunction with CHARMM
> force field? I appreciate your help very much.
>
> Yours,
>
> Mehdi
>
>

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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