[gmx-developers] Suggestion: warning for trjconv -ur compact

Jochen Hub jhub at gwdg.de
Thu Oct 9 10:07:15 CEST 2008


I suggest to report a warning in trjconv when using -ur compact
*without* using -pbc atom or -pbc mol. In that case, -ur compact doesn't
work which may cause some confusion (and did confuse me yesterday :) ).

Thanks to Erik for helping me out with that issue.

I added that minor issue to the 'wishlist' in the wiki.

Cheers, Jochen

Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312

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