[gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx
David van der Spoel
spoel at xray.bmc.uu.se
Wed Nov 7 17:19:57 CET 2007
maria goranovic wrote:
> Ummmm. Something wrong with using GROMOS87 ? I thought that was the
> one most commonly used for proteins ?
Not really, if you look in numbers I'd guess Amber is the most popular.
The G87 ff is 20 years old, and the Van Gunsteren group has already
published updates in 1996 and most recently in 2005. There are known
problems with it and you may indeed have problems defending your choice
of force field for publications.
> On Nov 7, 2007 4:48 PM, maria goranovic <mariagoranovic at gmail.com> wrote:
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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