VMD-L Mailing List

From: Nirmitee Mulgaonkar (nirmitee.mulgaonkar_at_tamu.edu)
Date: Sat Jul 13 2019 - 21:45:50 CDT

Hi,

I've been trying to generate psf file for a ligand molecule using Autopsf
in VMD.
However, it gives an error message:

*Autopsf has detected 1 unparameterized components*

I've added the top_all36 rtf files and the str file from cgenff website.
the unparameterized atom is hydrogen.

Please advise how to resolve this error.

Thanks,
Nirmitee