Date:
2012-01-09 17:51 |
Priority:
3 |
State:
Open |
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Submitted by:
John Chodera (jchodera)
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Assigned to:
Nobody (None)
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Resolution:
none |
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Summary:
NonbondedForce gives 'nan' energy on Reference platform for overlapping atoms even when charge and epsilon are zero |
| Detailed description |
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It appears that the NonbondedForce gives 'nan' energies for Reference platform for atoms at the same position even when charge and epsilon are zero. See attached test script. The OpenCL platform does not seem to have this problem. |
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