Dear gmx users,
I have one doubt regarding conversion of
C6/C12 parameters to sigma /epsilon. As Mr Chris neale said
(http://www.gromacs.org/pipermail/gmx-users/2006-May/021416.html ), I added
atomtypes, pairtypes and dihedraltypes from lipid.itp to ffoplsaanb.itp---after
changing C6/C12 paramters to sigma/epsilon.
My questions are
(1) Is it also required to do conversion of C6/C12 parameters of
nonbond_paramsto sigma/epsilon and adding these parameters from lipid.itp to
ffoplsaanb.itp.
(2) If it is not required to convert nonbond_params parameters, is it
required to call these parameters without conversion.
Any suggestion is appreciated, thank you in advance.
With best regards,
Nagaraja Mulpuri.
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