VMD-L Mailing List

From: Jeroen Akershoek (jeroena_at_sara.nl)
Date: Mon Sep 29 2003 - 09:32:29 CDT

I'm messing around with NAMD simulations and displaying them with VMD via the IMD plugin.
The visualisation works fine. The thing is, I want to interact with my simulation. Tug on a couple of atoms and all.
So I create a tool (pinch for example) and tug on an atom. The NAMD simulation exits with the following message:

ERROR: Atom 351 velocity is -13622.1 1574.97 -17427.8 (limit is 10000)
ERROR: Atoms moving too fast; simulation has become unstable.
ERROR: Exiting prematurely.

No matter how careful I am, I can never move it slow enough to make it work.

I'm running 1.8.1, custom build with CAVE support and we're using the cavetracker to manipulate the atoms

Regards,
 Jeroen 

-- 
Jeroen Akershoek, VR Specialist
SARA Computing and Network Services
tel: +31 20 5923000     fax:   +31 20 6683167
A polar bear is a rectangular bear after a coordinate transform.