Hi Gromacs users,
I am trying to simulate a protein with a micelle, and have used dpc.itp
from Dr. Tieleman's site. I have also introduced parts of lipid.itp
into ffoplsaanb.itp and ffoplsaabon.itp in accordance with Chris Neale's
half-epsilon double-pairlist method. But when I issue a grompp command
for minimization, grompp gives a fatal error that the "Bonded/nonbonded
atom type 'CH3' not found!". This atom type CH3 is present in dpc.itp.
I am now wondering if I can match this to some existing atom in the
oplsaa and how I might go about choosing which atom.
I would be grateful for your advice, and am happy to attach files if needed.
Cheers,
Soo Mei
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