VMD-L Mailing List

From: Albert (mailmd2011_at_gmail.com)
Date: Tue Oct 03 2017 - 12:47:03 CDT

Hello,

I am trying to use the Forcefield Toolkit in VMD to parameterize my
ligand which cannot find a good parameters in ParamChen Webiste or
CGenFF. I noticed that it requests the log file from Gaussian QM
calculation. I don't have a license of Gaussian, could the developer
also provide an alternative QM tool such as ORCA or GAMESS?

Thank you very much.

Regards

Albert