[gmx-users] harmonic restraint

[Jochen Hub]

Jae Hyun Park wrote:
> Dear all GROMACS users,
> 
> I'm new in protein simulation.
> Does anybody let me know in what subroutine the harmonic restraint is implemented? If I would like to trace back to the subroutine from md.c, how can I do that?
> I really appreciate any comments on such a beginner's question.

If you mean "position restraints", they are in posres() in bondfree.c

Best, Jochen

> 
> Best,
> Jae H. Park 
> =======================================
> Jae Hyun Park, Ph.D.
> Visiting Scholar
> 3215 Beckamn Institute
> University of Illinois at Urbana-Champaign
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-- 
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
************************************************