I assume that you are talking about the [ nonbons_params ] section from
lipid.itp.
To answer this question requires an understanding of what information is contained in the [ nonbond_params ] section (A) generally,
and (B) in lipid.itp
The answer to (A) is in the manual and the mailing list
naga raju wrote:
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.gr
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/
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