[gmx-developers] Intramolecular distances with g_dist

Martin Hoefling mhoefli at gwdg.de
Fri Jan 20 20:53:53 CET 2012

Am 20.01.2012 18:24, schrieb Berk Hess:

> g_mindist doesn't by coincidence already do what you want?
Well, I need the CoM distance and not the minimum distance. Looking at
g_mindist it interestingly has two options, pi and pbc. I would omit the
pi option so far, since that requires some more work.



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