VMD-L Mailing List

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Tue Nov 03 2020 - 06:55:01 CST

Hello
I am trying to generate psf/pdb with autopsf/VMD 1.9.4a.38 for a homotrimer
protein with peptide ligand, chloride ion, and water at each chain. There
are several disulfide bridges.

HIS was chande to HSE or HSP as appropriate.

Any guess from the attached error log on where to search for my mistake?.
I see that segid was not set on any of the partial output files.
I assume that autopsf was using charmm36, however I did not add charmm36.

Thanks for advice