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PCM and the radius of the spheres

Alexandr
planfactor@mail.ru


Hi,
I perform the PCM calculation of molecules with 39 atoms, including gallium atom (number 9). Listing too NESFP = 39:
        INPUT FOR CAVITY DEFINITION
         ---------------------------
    ATOM         COORDINATES           RADIUS
    1   -0.2924    0.6179   -0.1546    1.7000
    2   -0.8113    1.9303   -0.1976    1.7000
    [...]
    8   -4.4102    1.2957   -0.0693    1.5000
    9   -5.1142   -0.3877    0.1036    0.0000
   10   -6.7551   -0.9977    0.3589    1.5000
   11    1.1403    0.4498   -0.1149    1.7000
    [...]
   37    1.1570   -1.4122   -2.1022    1.2000
   38    3.3668   -5.4974   -0.9960    1.5000
   39    4.0002   -5.1629    1.0636    1.5000
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF PC GAMESS TERMINATED ABNORMALLY AT 23:18:32 LT  21-DEC-2010

Why the error message appears? Why is the sphere radius for the gallium is zero? What can I do to calculate PCM lasted?

regards,
Alexandr


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