[gmx-users] pdb2gmx error, How to generate the gro and top file for a small molecular?

[SUN, Jian]

Dear all,

I am doing the simulation of a protein with a small molecular in its active
site.
But unfortunately, pdb2gmx cannot generate the gro and top file for the
small molecualr?
I am using the oplsaa force field, who can tell me how to generate the gro
and top files?

Thanks a lot
Jian
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