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
