[gmx-users] Which forcefield should I use?

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Jan 24 09:51:27 CET 2008


Rui Li,

That's part of your homework. Checking the literature on similar
systems and do background reading on MD and force fields.

Also read

http://catb.org/~esr/faqs/smart-questions.html
or
http://www.lat30n.cn/doc/oss/smart-questions.html

and

http://wiki.gromacs.org/index.php/Parameterization

Cheers,

Tsjerk

On 1/24/08, Rui Li <moonfine at mail.sdu.edu.cn> wrote:
> Dear all,
> I want to ran a simulation of an enzyme with inhibitor
> Which forcefield in Gromacs should I use?
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623



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