[gmx-users] Two-body Bonded Distance

jolayfield jolayfield at gmail.com
Mon Mar 3 19:55:06 CET 2014

>> Where are you adding the virtual particle in relation to all of this?

The virtual particle is included in the ligand residue (#160) but this error
occurs in whichever methionine residue has the longest CB-CE distance.  They
are not spatially near one another and the offending residue is different
from trajectory to trajectory given the fluctuations of the MET side chains.  

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