Ok, thanks. Peter
On Mar 29, 2013, at 10:22 AM, Justin Lemkul <jalem...@vt.edu> wrote: > On Fri, Mar 29, 2013 at 1:16 PM, Peter Eastman <peast...@stanford.edu>wrote: > >>> Which version of the manual are you using? I recall the discussion on >> [pairs_nb] being absent in an older version, but manual section 5.3.4 in >> version 4.6.1 has lots of discussion on [pairs_nb]. >> >> I was looking at the 4.5.3 manual. I just downloaded the 4.6.1 manual, >> and I see it now discusses that option. But here's what it says: "The >> normal pair interactions, intended for 1-4 interactions, have function type >> 1. Function type 2 and the [ pairs_nb ] are intended for free-energy >> simulations." So that still leaves my question about Coulomb parameters, >> since function type 1 doesn't specify them. >> >> > Coulombic interactions are always scaled by the value of fudgeQQ (see > discussion on [defaults] directive in manual section 5.7.1). > > -Justin > > -- > > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) > 231-9080http://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 -- 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
