[gmx-users] Re: topology file

[David van der Spoel]

On 2011-12-24 13:08, Su Nh wrote:
> Dear Prof. van der Spoe
> Thank you for your responce. But I want to know if the charges in the
> topology files, which are built by ATB, are accurate and there is no
> need to re-calculate them or not?
> On the oder hand, what is the compatible parameters (basis set and
> method) with GROMOS force field?
> Thank you very much indeed
> su
Ask the guys who made the website please.
You can also check out http://virtualchemistry.org for OPLS & GAFF.
Please put further questions on the mailing list.
-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se