[gmx-users] Two-body Bonded Distance
jolayfield at gmail.com
Mon Mar 3 15:27:31 CET 2014
The two-body distance is about 4x the actual distance in the structure
file. This spuriously large distance only appears once I add the virtual
particle. This appears to not affect the actual MD run based on my tests
with and without the virtual particle, but it does limit the number of
processors that I am able to use during the run. Is there a reason that the
distance should be different for the two-body bonded and multi-body bonded
distance when they span the same atoms?
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