<DIV>Dear gromacs users,</DIV>
<DIV> </DIV>
<DIV>I'm running simulations of Human Carbonic Anhydrase II complexed with trifluoromethane - sulfonamide. Ligand topology was generated with PRODRG server but every simulation crashes at the same point, when forces on ligand become exceedingly big and a "singular matrix" error message comes out.</DIV>
<DIV> </DIV>
<DIV>Everything is ok without sulfonamide... </DIV>
<DIV> </DIV>
<DIV>Can this be related to my generated ligand topology? </DIV>
<DIV>Has anyone experienced this kind of problem and worked it out? </DIV>
<DIV>Is some other topology for sulfonamides available?</DIV>
<DIV> </DIV>
<DIV>thanks</DIV>
<DIV>best regards</DIV>
<DIV> </DIV>
<DIV>Paolo Cerri</DIV><p>
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