[gmx-users] how to detect jumping to periodic image ?

[David van der Spoel]

On Tue, 2005-02-01 at 21:30 +0800, Sandeep Somani wrote:
> Hi all
> 
> Is there any utility to check if a given atom in a trajectory has jumped
> across to its image and the time of jump ? 
> 
> i want to avoid loading and visualising the trajectory. 
trjconv -pbc nojump
> 
> Thnx
> sandeep 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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