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

Roland Schulz roland at utk.edu
Tue Aug 31 02:10:18 CEST 2010


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.


ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100830/35761cdf/attachment.html>

More information about the gromacs.org_gmx-users mailing list