[gmx-users] trjconv

Dallas Warren dallas.warren at vcp.monash.edu.au
Wed Feb 25 23:46:05 CET 2004

>     Thank you very much for your suggestion.

No problem.

>i used the editconf -center option to center the molecule. first it is at the
>center. but afte 8 Ps it went out.

editconf I use on a single gro file.  If it is a trajectory, then use trjconv.

>what i understood is trjconv can be used after the simulation (for -pbc,
>-center options).
>is it correct?

Yes, you use that on the trajectory file and it will center the molecule in 
the box in each frame of the trajectory.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.

More information about the gromacs.org_gmx-users mailing list