[gmx-users] spurious dihedral warnings
Moore, Jonathan (J)
JMoore2 at dow.com
Fri Feb 3 15:08:48 CET 2006
Yes, thanks...that's what I expected. I sent the clarification about what I
meant to say before seeing your reply that provided me with the
understanding I was looking for.
> If all properties of the atoms involved don't change from the A to the B
> state and you specify only the A-state dihedral parameters,
> grompp will silently copy the A-state parameters to the B-state.
Jonathan Moore, Ph.D.
Research and Engineering Sciences - New Products
The Dow Chemical Company
1702 Building, Office 4E
Midland, MI 48674 USA
Phone: (989) 636-9765
Fax: (989) 636-4019
E Mail: jmoore2 at dow.com
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