On 11/10/12 8:47 AM, rama david wrote:
Hi justin,
If you dont mind please give the link for gromacs 4 paper , it will surely
help
me to decide ff and parameter...
http://www.gromacs.org/About_Gromacs/Citations
The Gromacs 4 paper is the one from 2008. I doubt it will help you make any
decisions about force fields; the simulations used OPLS-AA with the cutoffs I
described. If you're looking for more detailed information about force field
comparisons, look up the work of Robert Best and others. They have done some
excellent comparisons of force fields and provide very nice detail as far as
proper usage.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
