Gas phase .bar files dont have third column of volume information

[misterbrandonwalker]

For solvation, we have gas phase (no box info in arc/key file). A .bar file will generate without third column however when I run bar option 2, this happen

Compiled at: 14:39:01 Jun 8 2021 Commit Date: Mon Jun 7 17:16:18 2021 -0500 Commit: cdf265c2 Simulation Trajectory A and Thermodynamic State 0 : Title Number of Frames : 974 Temperature : 300.00 Simulation Trajectory B and Thermodynamic State 1 : Title Number of Frames : 974 Temperature : 300.00 Free Energy Difference via FEP Method : /home/liuchw/Documents/Github.leucinw/Tinker9/build_1/bar9.sh: line 4: 2421047 Segmentation fault (core dumped) "${DIR}"/tinker9 bar "$@"

[misterbrandonwalker]

Perhaps not a big issue we can use bar from tinker CPU version

[zhi-wang]

I'll still fix it.

[zhi-wang]

Fixed in 67243e342e45aafd5dbf0171e9617de97cdfe308

[misterbrandonwalker]

Thanks!