Dear mailing list,
The leaprc.phosaa10 file mentions "We recommend that you do *NOT* use these
parameters with the # ff14SB protein force field as the requisite atom
types are not present and
# the dihedral potentials will be mismatched. (The Simmerling group hopes
to
# release ff14SB-compatible parameters for phosphorylated amino acids later
# in 2016.) Also note that the bond, angle, and dihedral terms are mostly
# generic and taken from analogy with existing terms in parm99.dat. "
I was wondering whether phosphorylated parameters compatible with ff14SB
has been released?
Regards,
Neha
--
Regards,
Dr. Neha S. Gandhi,
Vice Chancellor's Research Fellow,
Queensland University of Technology,
2 George Street, Brisbane, QLD 4000
Australia
LinkedIn
Research Gate
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Received on Tue Jul 19 2016 - 00:00:02 PDT
