From: Adupa Vasista (adupavasista_at_gmail.com)
Date: Sun Jul 14 2019 - 04:31:25 CDT

the str file generated from the cgenff website can have different residue
name. Change the residue name in the str file as per the Ligand's Residue
name.

On Sun, Jul 14, 2019 at 8:42 AM Nirmitee Mulgaonkar <
nirmitee.mulgaonkar_at_tamu.edu> wrote:

> 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
>
>

-- 
*A.VasistaM.Tech,Department Of Chemical Engineering,*
*IIT Guwahati.*