[gmx-users] Position Constraint

[Jochen Hub]

Check the "real posres(..." routine in src/gmxlib/bondfree.c

Jochen

Jae Hyun Park wrote:
> Dear GROMACS users,
>
> I would like to modify the source code on the position restraint part (restraining the atoms in a protein using -DPOSRES). Could anybody let me know where (or which subroutine) I can do it?
>
> Best,
> Jae H. Park
> =======================================
> Jae Hyun Park, Ph.D.
> Research Scientist
> 3215 Beckamn Institute
> University of Illinois at Urbana-Champaign
> 405 North Mathews Avenue
> Urbana, IL 61801
> (Tel) 217-244-4353, (FAX) 217-244-4333
> (E-mail) jaepark at uiuc.edu
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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
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