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-- Jason M. Swails Quantum Theory Project, University of Florida Ph.D. Candidate 352-392-4032 On May 11, 2012, at 5:30 AM, George Tzotzos <gtzotzos.me.com> wrote: > I'm trying to minimise the structure of a protein-ligand complex for constant pH simulations. > > Running: mpirun -np 12 sander.MPI -O -i min.in -o min.out -p complex.prmtop -c complex.inpcrd -r min.rst -ref complex.inpcrd > > gives the following error message: > > "At line 1019 of file _mdread.f (unit = 5, file = 'min.in') > Fortran runtime error: End of file > APPLICATION TERMINATED WITH THE EXIT STRING: Hangup (signal 1)" > > I'm attaching the md.out file hoping that someone could help me to sort out this problem. > > Best regards > > George > > <min.out> > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Fri May 11 2012 - 05:30:05 PDT