On 29/07/2012 5:11 PM, vidhya sankar wrote:
Dear justin,
Thank you for your previous reply.
Is there is any Thumb rule in setting rcoulomb ,
rvdw & rlist ?
Yes, use settings that have been proven to work with your forcefield,
preferably those for which it was parametrized.
also is there is any relation between aforesaid parameters with Box size
See manual regarding minimum image convention.
When i set the above parameters what should be i Aware of ? to get good result
in energy minimisation and Mdrun
Don't choose parameters arbitrarily. Tread paths that others have trod,
unless/until you know why you can deviate.
Mark
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Only plain text messages are allowed!
* 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
