Gallane

Molecule Viewer


Calculation failed

EPS= 78.39
INPUT FOR CAVITY DEFINITION
---------------------------
ATOM COORDINATES RADIUS EPS
1 1.0345 -0.0519 0.0782 0.0000 78.3900
2 2.6375 -0.0519 0.0782 1.2000 78.3900
3 0.2330 -1.3515 0.5662 1.2000 78.3900
4 0.2329 1.2476 -0.4098 1.2000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Thu Sep 17 02:35:16 2020