From: David Huggins (djh210_at_cam.ac.uk)
Date: Wed Aug 31 2011 - 19:05:05 CDT
I am simulating TIP4P waters with NAMD (using watermodel tip4). When I
attempy to minimize (with rigidBonds all or water) the water OH distances
and the HOH angle change.
What are the correct options and settings to ensure that these distances and
angles are fixed during minimization?
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