[gmx-users] LINCS constraint on DU-DU bond

[Luirink, R.A.]

I found the solution!

On 13/12/2019, 13:53, "gromacs.org_gmx-users-bounces at maillist.sys.kth.se on behalf of Luirink, R.A." <gromacs.org_gmx-users-bounces at maillist.sys.kth.se on behalf of r.a.luirink at vu.nl> wrote:

    Hi,
    I would like to constrain a bond between two dummy atoms using LINCS constraints. As I want to perturb the atoms towards a N-H bond, I would like to pre-treat it as such, due to the low mass of one of the dummy atoms.
    Is this possible somehow? And, if not, how is the constraint introduced during the perturbation from DU to H atom?
    (using gromacs version 2018.6)
    Thanks in advance,
    Rosa
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