VMD-L Mailing List
From: Chaya Stern (chaya.stern_at_choderalab.org)
Date: Fri Mar 20 2015 - 09:13:01 CDT
Is there any way to restrain two bonds or angles or dihedrals to be
equivalent when I optimize the parameters? For example, if I have two
bonds, CD2D1 - CD2D1 and CD2D2-CD2D2 and I want them both to have the same
force constant and equilibrium distance.
-- Chaya D Stern Memorial Sloan Kettering Cancer Center Tri-Institutional Chemical Biology Program