[gmx-developers] trjconv defaults

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Oct 17 11:53:54 CEST 2008


> I would say -pbc nojump is the magic option that fixes all this at one and
> it fast,
> only the solvent will then move out of the box over time.

That would be solved if -pbc/-ur options would be applied to selections.


Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

More information about the gromacs.org_gmx-developers mailing list