On 11/6/12 12:12 PM, Ali Alizadeh wrote:
Dear All users
1- Do these parameters strongly impact on my final results?
rlist
rcoulomb
rvdw
Yes, potentially very strongly.
2- Are these parameters independent from type of system and only
dependent to type of the force fields?
Yes.
3- I want to use gromos 45a3 ff but i do not know these parameters,
Have you read the article in which 45A3 was derived? It spells out precisely
what you need to do.
http://onlinelibrary.wiley.com/doi/10.1002/jcc.1078/abstract
-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 gmx-users@gromacs.org
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 gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
