From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jul 20 2012 - 01:42:11 CDT
On Fri, Jul 20, 2012 at 7:11 AM, bond.james <bond.james_at_163.com> wrote:
> I'm trying to run simulation of SWCNT in a certain direction ï¼ˆeg: axis
> Zï¼‰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,
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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