VMD-L Mailing List

From: Pawel Kedzierski (pawel.kedzierski_at_pwr.edu.pl)
Date: Mon May 17 2021 - 14:50:37 CDT

Dear Harper,
W dniu 17.05.2021 o 19:15, Smith, Harper E. pisze:
> Hi all,
>
> How are angles decided by AutoPSF? I tried to make a patch for my
> residue, but when I apply it in AutoPSF, I have several strange angles
> listed in the .psf file (like 13      16  13). These should not exist,
> right?

I would suggest checking if you do not apply the same patch twice, or
whether the patch does not duplicate the same bond.

With regards,

Paweł

>
> Best,
> Harper Smith