[gmx-users] Temperature range for Gromacs (OPLS)

[David van der Spoel]

Monika wrote:
> Dear All,
> I wish to know that at what temperature range the Gromacs OPLS-AA 
> parameters are valid? I couldn't find any such information. If anyone 
> has some idea regarding the lower and upper limit of temperature range 
> within which the calculations can be done. Since I think that parameters 
> are temperature dependent, so till what temperature will the usage be 
> fine for the default parameters with OPLS force field.
> Thanking you in advance,
> Regards,
> Monika.

Hard to tell, you typically get this kind of question from referees. It 
is probably good to test some simple systems. People use it below 
freezing and above boiling temperature.


> 
> 
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se