[gmx-users] Distance from heavy atom to Methyl Vsite

[Roland Schulz]

Hi,

how does one calculate the distance from the next heavy atom to the MCH3
virtual site of a methyl group? I have a O-C-H3 and thus need to
parameterize the constraint length for MCH3 to the oxygen. I can't find or
figure out the formula to compute this.

Roland

-- 
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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