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Jerkwin / gmxtools

tools for GROMACS
https://jerkwin.github.io/gmxtools/
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Error: awk: cmd. line:154: (FILENAME=_pid.pdb FNR=115728) fatal: division by zero attempted #1

Closed meetxinzhang closed 3 years ago

meetxinzhang commented 3 years ago

when i run: ./gmx_mmpbsa* -f md_0_1.xtc -s md_0_1.tpr -n index.ndx -com Protein -pro receptor -lig ligand

I got an error: 1.4.1 running for Frame 1: _pid~0ns awk: cmd. line:154: (FILENAME=_pid.pdb FNR=115728) fatal: division by zero attempted