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chandkc / HTVS

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0% executed, 0% remaining, 100 % error, #50

Open bishweshwarShome opened 2 years ago

bishweshwarShome commented 2 years ago

htvs2 htvs3

bishweshwarShome commented 2 years ago

here I put mol weight 10, and I have also changed grid params, grid space, adv params etc.

sanvidat commented 1 year ago

Source of this error is:

  1. Mol weight
  2. Grid spacing, grid points (random values)