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 > 405 North Mathews Avenue > Urbana, IL 61801 > (Tel) 217-244-4353, (FAX) 217-244-4333 > (E-mail) [EMAIL PROTECTED] > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > . > -- ************************************************ 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 ************************************************ _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
