[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
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>


More information about the gromacs.org_gmx-users mailing list