Molecule Viewer
Calculation failed
-------------------------------EPS= 78.39
INPUT FOR CAVITY DEFINITION
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ATOM COORDINATES RADIUS EPS
1 1.0480 -0.5855 -0.2244 0.0000 78.3900
2 2.4485 -0.2833 -1.2184 1.8100 78.3900
3 -0.3525 -0.8878 0.7696 1.8100 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Fri Nov 20 19:11:14 2020