Ok, thanks, I may just do that
On Tue, Sep 24, 2013 at 2:42 PM, Mark Abraham <mark.j.abra...@gmail.com>wrote: > The FF+water combinations still work the same way they did 3 years > ago! :-) The important question is whether validation for the > observables has occurred. (And no relevant problems were seen). If the > paper does not support its decision to mix and match, go and ask them > why it was reasonable! > > Mark > > On Tue, Sep 24, 2013 at 10:58 PM, Rafael I. Silverman y de la Vega > <rsilv...@ucsc.edu> wrote: > > Dear all, > > I have been trying to evaluate a paper that used amber99 with SPC water > to > > simulate a protein. How would this affect the results, is it important? I > > googled for a bit, all I found was: > > "Amber, charmm and OPLS-AA were developed with TIP3P, and that should be > > the default. Except that charmm uses a TIP3P with lennard-Jones on the > > waters, and that should probably be the default with charmm. > > >B.t.w., how transferable are water models between ff's? I've always > been > > thought that >they are actually non-transferable (or at least that is > what > > I remember), making e.g. >Amber/SPCe a bad option, as would > gromos/tip4p.? > > Nobody really knows." > > > > from 2010, have things changed in 3 years, and forcefields work better > with > > water models not developed specifically for that ff? > > Thanks > > -- > > 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 > -- 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