VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Tue Jun 04 2013 - 09:12:59 CDT

Where in Molefacture does the force field come into play? I don't know if all plugins use it, but the readcharmmpar plugin keeps a copy of CHARMM27 protein and CHARMM36 lipid parameters in the scripts/tcl/readcharmmpar1.2 folder.

What, specifically are you trying to do?

Regards,

Christopher Mayne

On Jun 4, 2013, at 7:12 AM, Prof. Eddie wrote:

Anyone have any ideas? Is it hard coded?

On Wed, May 29, 2013 at 3:32 PM, Prof. Eddie <eackad_at_siue.edu<mailto:eackad_at_siue.edu>> wrote:
Hi all,
Is there a simple way to change the force-field that molfracture uses (or even more broadly the parameter file for all vmd related things)? I'd like to try using the charmm36 force field.
Thansk<
Eddie 

--
_________________________________________________________
Edward Ackad, Ph.D<http://www.siue.edu/%7Eeackad>
Assistant Professor of Physics
Computational Nanophotonics
Southern Illinois University Edwardsville
(618) 650-2390<tel:%28618%29%20650-2390>
--
_________________________________________________________
Edward Ackad, Ph.D<http://www.siue.edu/%7Eeackad>
Assistant Professor of Physics
Computational Nanophotonics
Southern Illinois University Edwardsville
(618) 650-2390