Dear all,
I am trying to run MD with a protein with four different chains. When I
convert this structure to gromacs, I have four different molecules in the
topology file. I would like to use distance restraints between specific
atoms of different chains. I have created the itp file with the information
of the atoms involved in distance restraints. However, when I run the MD
simulation with distance restraints I always get the same error message : <
you have inserted topology section "distance_restraints" in a part belonging
to a different molecule than you intended to >. Can someone help me with
this problem ? I do not what is the exact place of the < distance-restraints
> section in the topology file.
Thank you very much.
Oscar
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