File: gist.out.save

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cpptraj 5.1.0%2Bdfsg-5
links: PTS, VCS
area: main
in suites: forky, sid
size: 139,188 kB
sloc: cpp: 145,622; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (53858 lines) | stat: -rw-r--r-- 3,517,694 bytes
parent folder | download | duplicates (2)
GIST Output v2 spacing=0.5000 center=1.500000,1.000000,0.000000 dims=34,44,36
voxel xcoord ycoord zcoord population g_O g_H dTStrans-dens(kcal/mol/A^3) dTStrans-norm(kcal/mol) dTSorient-dens(kcal/mol/A^3) dTSorient-norm(kcal/mol) dTSsix-dens(kcal/mol/A^3) dTSsix-norm(kcal/mol) Esw-dens(kcal/mol/A^3) Esw-norm(kcal/mol) Eww-dens(kcal/mol/A^3) Eww-norm-unref(kcal/mol) Dipole_x-dens(D/A^3) Dipole_y-dens(D/A^3) Dipole_z-dens(D/A^3) Dipole-dens(D/A^3) neighbor-dens(1/A^3) neighbor-norm order-norm
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