Create index (index: NDX) using take order make_ndx in series GROMACS program to determine the group in temperature control Number of molecules or atoms in the edit files.Top to match the number of molecules or atoms in the system, then all file. Using the grompp the files.TPR have gone in the cluster to calculate MD simulation using 24 CPUs in calculation the calculation PME 12 CPUs and calculated the strength 12 CPUs. The speed calculation in 7 ns per day
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