On Fri, Sep 12, 2014, sunita.tifrh.res.in wrote:
>
> After going through the literature I find ff99SB*-ILDN is the one which
> gives comparable result to the experimental observations.
Just to add a small note to Jason's excellent reply:
The types of side-chain torsional modifications that were made in the
"ILDN" modifications to ff99SB are also present in ff14SB. That is to
say, the same problems with side-chain behavior (plus some additional
difficulties with other side chains) have been addressed; the specific
changes from ff99SB are different. We expect that (like ff99SBildn)
ff14SB will generally show improved physical fidelity, compared to ff99SB.
For more details, please see the paragraph on "side chain dihedral parameters"
on p. 31 of the Amber14 Reference Manual.
Like Jason, I don't know what the "*" means in ff99SB*ildn.
...dac
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Received on Fri Sep 12 2014 - 08:30:02 PDT
