sharada wrote:
rlist = 0.5
rcoulomb = 1.4
rvdw = 0.8
You are using cut-off electrostatics by default, so you are probably getting
some bad artifacts (use PME instead). Also, the values of rlist, rcoulomb, and
rvdw you are using do not correspond to those for which the Gromos96 force field
was derived. These make no sense. Refer to the original literature for
whichever parameter set you decided to use.
-Justin
--
========================================
Justin A. Lemkul
Graduate Research Assistant
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://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
