VMD-L Mailing List

From: Alilovic,Kata (alilovickata_at_ufl.edu)
Date: Thu Jul 02 2020 - 16:04:29 CDT

I run into an issue when creating a psf file while using Automatic PSF Builder. After I upload the PDB file and set the PSF builder, VMD shuts down and in the terminal, it says process completed. I do not get psf file in the end. When I load pdb file and run Automatic PSF Builder I get autopsf-temp_top, autopsf-temp.xbgf, and autopsf_formatted.pdb file. Also when I try using the Tk Console following the example given in the tutorial I get an error saying that it can not open the topology file and that molecule destroyed is destroyed by fatal error. I have the newest version of VMD for Mac.
I would appreciate any advice on how to solve this.

Best,
Kate