VMD-L Mailing List

From: Stefan Doerr (stefdoerr_at_gmail.com)
Date: Thu Jul 07 2016 - 05:19:47 CDT

Coor files only contain coordinates, no atom names or residue names. So
yeah if you modify the psf or pdb manually to put back the original residue
names it should load fine.

On Thu, Jul 7, 2016 at 11:51 AM, Kevin C Chan <cchan2242-c_at_my.cityu.edu.hk>
wrote:

> Dear Users,
>
> Psfgen as a default would alias some atom names in order to run NAMD
> afterwards. I am wondering, instead of running psfgen again with inverted
> alias, is there a convenient way of changing the names of a pdb after MD
> simulations (written from a coor file) back to what we see in a pdb from
> the RCSB PDB bank?
>
> Any experience shared would be appreciated.
>
> Thanks,
> Kevin
> City University of Hong Kong
>