[gmx-users] Distance restraint

jacopo.sgrignani at unifi.it jacopo.sgrignani at unifi.it
Tue Oct 2 10:33:08 CEST 2007

I have a system with a protein and two different ligands.
I'm trying to use distance restrain to hold the ligands inside the
protein during a free energy calculation. 
If I use the distance restrains only between the protein and the first
ligand I don't get any error, but if I introduce restraints for The
second ligand i get a lot of LINCS warnin and the calculation ends with
Segmentation fault error.
I use the command disre = enesemle in my mdp file.
Could you help me.

Thanks a lot


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