12 December 2019 2 7K Report

Hi. I am using gromose 54a7 force-field and Gromacs package to simulate a protein-ligand complex.it writes pdbs for steps. Maximum force = 8.3529562e+04 But in the NVT equilibration step, the job halts indicating some segmentation fault. Kindly suggest on how to interpret the error and trouble shoot the same. Thank you

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