VMD-L Mailing List

From: Chang, Christopher (Christopher_Chang_at_nrel.gov)
Date: Thu Jul 07 2005 - 10:54:42 CDT

You would probably help when posting by attaching the script in question. Input files would help too, if they're not too big...

Chris

Christopher H. Chang, Ph.D.
Research Associate
National Renewable Energy Laboratory
1617 Cole Blvd., Mail Stop 1608
Golden, CO 80401
Phone (303) 275-3751
Fax (303) 275-4007

> -----Original Message-----
> From: owner-vmd-l_at_ks.uiuc.edu
> [mailto:owner-vmd-l_at_ks.uiuc.edu]On Behalf
> Of Meunier, Vincent
> Sent: Wednesday, July 06, 2005 7:47 PM
> To: vmd-l_at_ks.uiuc.edu
> Subject: vmd-l: psfgen and DNA
>
>
> 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
>
>