[gmx-users] Regarding conversion of C6/C12 parameters to sigma/epsilon

naga raju nagaraju_cy at yahoo.co.in
Tue May 8 06:24:49 CEST 2007

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
My questions are
(1) Is it also required to do conversion of C6/C12
parameters of “nonbond_params“to sigma/epsilon and
adding these parameters from lipid.itp to
(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,

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