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

[Jochen Hub]

Hi,

isn't there already a position restraint of function type 2 
(flat-bottomed restraint)? At least I added this some years ago.

Cheers,
Jochen

Am 07.02.19 um 01:15 schrieb Shima Arasteh:
> 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 
> <mailto: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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Dr. Jochen Hub
Computational Molecular Biophysics Group
Institute for Microbiology and Genetics
Georg-August-University of Göttingen
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
Phone: +49-551-39-14189
http://cmb.bio.uni-goettingen.de/
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