[gmx-users] how to detect jumping to periodic image ?
feenstra at few.vu.nl
Fri Feb 4 07:57:59 CET 2005
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 ?
Try g_traj, it can plot coordinates of atoms (or the com of groups),
which you can view with xmgrace, or analyze with e.g. awk.
For curiosity, why do you want to know?
* NOTE: New Phone & Fax numbers (below) *
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 59 87608 - Fax: +31 20 59 87610 |
| | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/ |
| | "If You See Me Getting High, Knock Me Down" (RHCP) |
More information about the gromacs.org_gmx-users