From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Wed, 21 Oct 2015 21:16:48 -0400
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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http://lists.ambermd.org/mailman/listinfo/amber Received on Wed Oct 21 2015 - 18:30:04 PDT
