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Date:
2012-01-09 17:51
Priority:
3
State:
Open
Submitted by:
John Chodera (jchodera)
Assigned to:
Nobody (None)
Resolution:
None
Summary:
NonbondedForce gives 'nan' energy on Reference platform for overlapping atoms even when charge and epsilon are zero

Detailed description
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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Date: 2012-01-09 17:52
Sender: John Chodera

Attached example illustrating issue.

Attached Files:

Attachments:
Size Name Date By Download
1.27 KBtest_overlap.py2012-01-09 17:52jchoderatest_overlap.py

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Field Old Value Date By
File Added433: test_overlap.py2012-01-09 17:52jchodera
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