[gmx-users] OPLS-AA Dihedral Parameters for OS-CT-CT-OH
Joshua D. Moore
jdmoore at unity.ncsu.edu
Wed Aug 10 02:08:39 CEST 2005
I am trying to track down the OPLS-AA dihedral parameters for the
OS-CT-CT-OH dihedral (specifically O180-C182-C157-O154).
I have found from the OPLS-AA files for GROMACS
However, from the notation next to these, it says "hexopyranoses". I want
to apply this dihedral to an ethylene oxide surfactant. Are these
parameters appropriate? Can anyone tell me the source of these
parameters? From Jorgensen?
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