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.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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