[gmx-users] Distance restraints on two TYR OH groups so that they are together

[Vytautas Rakeviius]

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?
  
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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...  |   |

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