VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jan 14 2014 - 09:47:50 CST
You will want to use the "pbctools" plugin to unwrap
your trajectory so that you don't get PBC unit cell boundary
crossings and you can then use the "measure" commands as one
On Sat, Jan 04, 2014 at 11:03:43AM +0800, ?????? wrote:
> I tried to get value of bonds,angles using "measure".
> But it seems this command doesn't involve pbc box condition.
> sometimes I get unreal values.
> how can I overcome such problems?
> Kangjie lu
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/