Re: constant velocity of carbon nanotube through water

From: Cruz-Chu Eduardo Roberto (
Date: Fri Jul 20 2012 - 03:25:11 CDT


The problem may be that you are wrapping the trajectory, and that confuses the position for the constant velocity pulling. Try to set those options off. If that does not work, send your configuration file to take a look.



On Jul 20, 2012, at 7:11 AM, bond.james wrote:

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 ? I've searched in the mailing list ,but didn't find anything related. Does anybody have any suggestions?

thank you very much,

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