Back to square one! The point you are missing is that 4.172 A is not
equal to 0.417 nm and pdb2gmx does it without any warning.
You have a point. It is not possible to change the file formats without
creating great havoc as I'm sure you understand, but a warning that
precision is lost in pdb2gmx, editconf, trjconv is a good idea. We
should not make *any* presumptions about what the user wants to do
(although it is hard).
I've created redmine issue 846 to remind us of this problem.
http://redmine.gromacs.org/issues/846
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists