Hi Carlos,
Sorry I missed that. Now I can get to ff14SB directly.
On Thu, Oct 22, 2015 at 11:16 AM, Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> Ff12sb is described in the ff14sb paper. We feel that ff14SB is the better
> model for some side chains and we recommend using it.
> On Oct 21, 2015 9:10 PM, "yunshi11 ." <yunshi09.gmail.com> wrote:
>
> > Hello everyone,
> >
> > I understand that both ff12SB and ff14SB are developed by Simmerling
> group.
> > While ff14SB is shown to improve side chain conformations (
> > http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00255), I am not sure if
> > ff12SB does the same thing since I can't find a good paper on ff12SB
> except
> > (
> >
> >
> http://www.jbsdonline.com/benchmark-amber-ff12sb-force-field-comparison-of-estimated-hairpin-loop-folding-stabilities-experiments-p18872.html
> > ).
> >
> > So is ff14SB a mere continuation of improvement of ff94 after ff12SB? Or
> > are ff14SB and ff12SB developed in different manners?
> >
> > I believe both ff12SB and ff14SB are compatible with GAFF and Glycam_06j,
> > and hope to know which perform better in the simulation of protein-ligand
> > complex according to their development strategies (since there's no
> > extensive data or benchmark available).
> >
> > Thanks for any suggestion.
> >
> > Yun
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Received on Wed Oct 21 2015 - 18:30:05 PDT
