[gmx-users] develop parameters for small molecules

[Qinghua Liao]

Dear GMX users,

We want to develop the ff parameters for some small molecules in consistent
with gromos 53a6, and I know that PRODRG can do it, but it is not accurate
enough. So we want to do some QM calculations to validate it. However, how
can I derive these parameters for bonds and dihedrals from QM calculations,
and also the partial charge. In Amber, antechamber can do it, so is there
also such a tool for gromacs? Any suggestion will be appreciated.

-- 
Best Regards,

Qinghua
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