Hello, I try to add distance restraints on two TYR OH groups so that they are together in the end like this:
[ distance_restraints ] 195 281 1 1 1 0.2 0.22 0.24 1000 But it does not work at least over time frame I tested, they even go further away from each other. Here I share my all files:MD_4AK0_test_pub.tar.bz2 System is small and easy to run (gmx grompp -f md.mdp -c npt.gro -t npt.cpt -p topol.top -o md_0_1.tpr && gmx mdrun -deffnm md_0_1)What I am doing in wrong way? | | | | | | | | | | | MD_4AK0_test_pub.tar.bz2 MediaFire is a simple to use free service that lets you put all your photos, documents, music, and video in a si... | | | | -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
