On 2/13/18 5:08 AM, Prasanna Dr wrote:
Hi all, The force field combination used in GROMOS96 53A6 with extended Berger lipids contains L-J interaction cross-terms between protein lipid atom types? If so how abnormally high L-J interactions are tackled? In my case, to prepare the topology of my system (which contains proteins and DPPC), I followed KALP15 in DPPC tutorial (version Gromacs 5.0 and above) of Justin A. Lemkul. Does this tutorial answers my first question? Does I have employed force filed combination rules effectively?
Force field combination rules are only overridden when using a [nonbond_params] directive. If you find something abnormal that needs to be fixed, then you'd implement it there. Note that the tutorial is instructive in demonstrating how to set up such a system, but it is not the best possible force field model out there.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.biochem.vt.edu/people/faculty/JustinLemkul.html ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.