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-- Ray Luo, Ph.D. Professor of Structural Biology/Biochemistry/Biophysics, Chemical Physics, Biomedical Engineering, and Chemical Engineering Department of Molecular Biology and Biochemistry University of California, Irvine, CA 92697-3900 On Tue, Feb 18, 2020 at 6:35 AM Sruthi Sudhakar <sruthisudhakarraji.gmail.com> wrote: > > I am getting result when i tried with5 frames with GB and PB > > On Tue, Feb 18, 2020 at 7:09 PM David A Case <david.case.rutgers.edu> wrote: > > > On Tue, Feb 18, 2020, Sruthi Sudhakar wrote: > > > > >The job started running but it has been stuck in the following line for > > >like 3 hours. > > >28001 frames were processed by cpptraj for use in calculation. > > > > Try running a sample calculation with something like 5 frames, to make > > sure everything is working OK. Here on the list, we don't know anything > > about what options you chose for the MM/PBSA calculation, nor do we know > > anything about how large your system is. So people here are unlikely to > > be able to offer much real help. Start with the simplest and fastest > > calculations (e.g. GB only, no PB), then slowly add more complexit and more > > frames. > > > > ...dac > > > > > > _______________________________________________ > > 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/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Tue Feb 18 2020 - 07:30:01 PST