File: Gist3-output.dat.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 (60482 lines) | stat: -rw-r--r-- 3,961,180 bytes
parent folder | download | duplicates (2)
GIST Output v2 spacing=0.5000 center=0.810000,-1.000000,0.080000 dims=42,36,40 
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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51852 8.56 -9.75 -3.67 1 23.9357 0 0 0 0 0 0 0 0 0 0 0 1.7335 0.611741 0.383773 1.87791 3.2 4 0.16582 
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51960 8.56 -8.25 -9.67 1 23.9357 0 0 0 0 0 0 0 0 0 0 0 -1.45445 -1.11714 0.403862 1.8779 4.8 6 0.51378 
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51962 8.56 -8.25 -8.67 0 0 11.9678 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
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51968 8.56 -8.25 -5.67 1 23.9357 0 0 0 0 0 0 0 0 0 0 0 -0.73338 -0.214441 1.71543 1.87791 4.8 6 0.664894 
51969 8.56 -8.25 -5.17 0 0 35.9035 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
51970 8.56 -8.25 -4.67 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
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51990 8.56 -8.25 5.33 1 23.9357 0 0.477856 0.59732 0 0 0.123805 0.154756 0 0 0 0 1.34871 -1.02573 0.809565 1.87791 4.8 6 0.841015 
51991 8.56 -8.25 5.83 0 0 11.9678 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
51992 8.56 -8.25 6.33 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
51993 8.56 -8.25 6.83 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
51994 8.56 -8.25 7.33 1 23.9357 0 0.421747 0.527183 0 0 0.666428 0.833035 0 0 0 0 -0.102729 0.0244767 1.87493 1.87791 5.6 7 0.458235 
51995 8.56 -8.25 7.83 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
51996 8.56 -8.25 8.33 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
51997 8.56 -8.25 8.83 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
51998 8.56 -8.25 9.33 1 23.9357 0 0.311554 0.389443 0 0 1.40778 1.75973 0 0 0 0 -1.67631 0.61412 -0.58254 1.8779 4 5 0.847571 
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52000 8.56 -7.75 -9.67 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
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