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Dear GLYCAM users,

 

We are trying to simulate polysaccharides, cellulose and hemicellulose in particular, in GROMACS. The intention is to use GLYCAM forcefield parameters as well.

 

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?

 

Kind regards,

Ali