Please try and share your impressions: http://webapps.ccpn.ac.uk/acpype/ <http://webapps.ccpn.ac.uk/acpype/>
> On Jul 15, 2016, at 2:04 PM, Val Yu <[email protected]> wrote: > > 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 > _______________________________________________ > Xplor-nih mailing list > [email protected] > https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
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