VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat May 09 2020 - 16:14:11 CDT

you have to define a cross term to have its type being listed.
topotools is not very good at managing cross-terms, you will be better off
using CHARMM or psfgen to generate their definition. Since those are CHARMM
force field specific, that is where the topology generating tools specific
for CHARMM are the better choice.

axel.

On Sat, May 9, 2020 at 3:17 PM omid gh <molecular.simulator_at_gmail.com>
wrote:

> hi all
> how can i add new cross term type in vmd with topo tool?
> thanks
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.