Re: Charmm 22 vs Charmm 27

From: Thomas Gaillard (gaillard_at_chimie.u-strasbg.fr)
Date: Fri Oct 05 2007 - 16:07:47 CDT

On Fri, Oct 05, 2007 at 12:13:33PM -0700, Ilya Chorny wrote :
> I am running a membrane protein simulation using the CHARMM 27 forcefield
> and I my protein seems to be falling apart. Could it be because I am using
> CHARMM27 instead of CHARMM22? I am also using TIP3 and POPE.

For protein parameters, CHARMM27 and CHARMM22 are the same, at the
exception that CMAP corrections are enabled by default in CHARMM27.

-- 
Thomas Gaillard
Laboratoire de Biophysicochimie Moléculaire
Institut de Chimie LC3 - UMR 7177
Université Louis Pasteur
4 rue Blaise Pascal
F-67000 Strasbourg
phone: +33 (0)390 241 493
fax: +33 (0)390 241 490
mail: gaillard_at_chimie.u-strasbg.fr
web: http://lbm.u-strasbg.fr/gaillard

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