[gmx-developers] trjconv defaults
David van der Spoel
spoel at xray.bmc.uu.se
Fri Oct 17 10:19:08 CEST 2008
Hi,
shall we set the trjconv defaults to -pbc mol -ur compact ?
Even I get fooled when dumping a pdb file and suddenly noticing that it
is broken.
Cheers,
--
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
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://folding.bmc.uu.se
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