There's also an option "freezegrps". When should this be used? 2009/2/23 Justin A. Lemkul <jalem...@vt.edu>
> > > Lee Soin wrote: > >> Hello, all! >> Which option in .mdp file is used to specify position restraint and the >> corresponding force constant? >> >> > In your topology, you should have something like: > > #ifdef POSRES > #include "posre.itp" > #endif > > The posre.itp file contains force constants; in the .mdp file you can > "define = -DPOSRES" > > -Justin > > -- >> Sun Li >> Department of Physics >> Nanjing University, China >> >> >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> 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 gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > -- > ======================================== > > Justin A. Lemkul > Graduate Research Assistant > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Sun Li Department of Physics Nanjing University, China
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