Re: constant velocity of carbon nanotube through water

From: Axel Kohlmeyer (
Date: Fri Jul 20 2012 - 01:42:11 CDT

On Fri, Jul 20, 2012 at 7:11 AM, bond.james <> wrote:
> Hi,
> I'm trying to run simulation of SWCNT in a certain direction (eg: axis
> Z)with a constant velocity through water. In my practice, I used
> movingConstraints in conjuntion with Harmonic Constraints. But, when I
> finished MD.I found the SWCNT back and forth the concussion instead of
> constant speed movement.I am wondering ,is it possile for NAMD to do it ?

this is likely an issue of using the right parameters (or not).
did you make your constrain "stiff" enough?


ps.: i didn't know that NAMD can cause concussions. ;)
are you sure this is what you mean?

> I've searched in the mailing list ,but didn't find anything related. Does
> anybody have any suggestions?
> thank you very much,
> thom.

Dr. Axel Kohlmeyer
International Centre for Theoretical Physics, Trieste. Italy.

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