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
