[gmx-users] spurious dihedral warnings
Moore, Jonathan (J)
JMoore2 at dow.com
Fri Feb 3 14:36:13 CET 2006
What I meant to say is that I've used the format to define the A- and
B-state bonded interactions for all atoms that are perturbed in any way, but
not "all" as I wrote below. I didn't specify B-state bonded parameters for
atoms that were unperturbed.
> But I've used that type of format (ending the line with the A-state
parameter set name followed by the B-state parameter set name) to specify
the A- and > B-states for all of the bonded interactions.
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