[gmx-users] SPC with amber?
Rafael I. Silverman y de la Vega
rsilverm at ucsc.edu
Tue Sep 24 22:58:14 CEST 2013
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?
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