Dear gmx users,
I have one doubt regarding conversion of
C6/C12 parameters to sigma /epsilon.
I added atomtypes, pairtypes and dihedraltypes from
lipid.itp to ffoplsaanb.itp---after changing C6/C12
paramters to sigma/epsilon as given in mailing list
(http://www.gromacs.org/pipermail/gmx-users/2006-May/021416.html
).
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,
Mulpuri.
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