Dear Gromacs users,I try to run a molecular dynamics simulation of a
polyoxometalate. I want the molecule to behave as a rigid body except for one
peptidic chain bound to it. To achieve this, I constrain all the relative
distances between every possible couple of atoms in the structure. I add the
constraints to my topology file (*.top). After creating the *.tpr file, the
problem is that "mdrun" gives several LINCS WARNINGS and finally crashes.I do
not know what I am doing wrong as every constraint is correct when used
independently.I would be very grateful if anyone could give me a clue as to
what causes the problem.Thank youEva
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