Hi, Is there any method for small molecule parameterization other than Prodrg? That server doesn't give me satisfy parameters and atom naming of it is terrible. I'm afraid simply modifying this parameter to let result fit my expectation is not accepted. It seems that small molecule parameterization is not an easy task, sometimes itself can be published as a paper (with some simulation result). I'm wondering how you make the ligands work? Any suggestion and experiences will be appreciated because I really know little about this and I don't want to do stupid things.
-- Qinhong Yu Ames' Lab Department of Chemistry UC Davis
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