SimTK: OpenMM: [#926] OBC Parameters Are Not Accessible

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Date:
2009-08-27 17:52

Priority:
3

State:
Open

Submitted by:
Kyle Beauchamp (kyleb)

Assigned to:
Nobody (None)

Summary:
OBC Parameters Are Not Accessible

Detailed description
From my (limited) understanding, it seems that the OBC parameters alpha beta and gamma are not accessible through the OpenMM Interface. I believe that they are presently hard coded in the file gpu.cpp. It might be nice to have an interface for changing these.
From my (limited) understanding, it seems that the OBC parameters alpha beta and gamma are not accessible through the OpenMM Interface. I believe that they are presently hard coded in the file gpu.cpp. It might be nice to have an interface for changing these.

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