VMD-L Mailing List

From: Meunier, Vincent (meunierv_at_ornl.gov)
Date: Wed Jul 06 2005 - 20:46:39 CDT

Hi,

I'm new with VMD and I'm trying to do something seemingly basic but, well, I can't make it...

I do have PDB files that have been generated for AMBER forcefield, and I want to prepare psf files (with psfgen) using CHARMM forcefield (to use subsequently in NAMD2).

I know I have to set a list of aliases, patches,... but my current script for psfgen crashes badly. Any good resource or help on this?

Thanks!

Vincent