[gmx-users] GLYCAM for gromacs
ali.khodayari at student.kuleuven.be
Mon Oct 22 14:26:07 CEST 2018
Dear gmx users,
We are trying to simulate polysaccharides, cellulose and hemicellulose in
particular, in GROMACS. The intention is to use GLYCAM forcefield parameters
My question is, is there any properly quick way to parametrize GLYCAM force
field to be used in GROMACS?
Moreover, is it feasible to manually write the raw force field parameters
(GLYCAM_06j.dat) in GROMACS language? Let's say, using a python script? Or
it leads to any further problems?
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