[gmx-developers] Adding a new type of position restraint

Shima Arasteh shima.arasteh at temple.edu
Thu Feb 7 01:15:28 CET 2019


Also, I would have a similar question regarding adding a dihedral restraint
function to the existing dihedral restraint(type 1). I would like to know
what files I should modify to add a new dihedral restraint function?

Shima A

On Wed, Feb 6, 2019 at 3:51 PM Shima Arasteh <shima.arasteh at temple.edu>
wrote:

> Hi,
> I would want to add a new function for the position restraints as type 2.
> It looks that I can add it right after the type 1 in
> position-restraints.cpp.  Where else should I change to add my position
> restraint type 2 completely?
>
> Thank you,
> Shima A
>
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