[gmx-users] Length of a constrained bond
Mark Abraham
mark.j.abraham at gmail.com
Wed Apr 18 10:19:44 CEST 2018
Hi,
>From the topology
Mark
On Tue, Apr 17, 2018, 22:05 Eric Smoll <ericsmoll at gmail.com> wrote:
> Hello Gromacs Users,
>
> When setting "constraints=h-bonds" in an mdp file, what sets the
> constrained bond length? Is it the equilibrium bond length in the topology,
> the bond length deduced from the initial coordinates, or something else.
>
> Best,
> Eric
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