[gmx-users] bond constraints: which distance is constrained?

Vitaly V. Chaban vvchaban at gmail.com
Wed Dec 16 14:29:55 CET 2015

In bond constraints (all-bonds; LINCS...), does it constrain an initial
bond length (as in GRO) or an equilibrium bond length (as in ITP)?

My tests reveal the constrained distance is taken from ITP, which is
somehow counter-intuitive to me.

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