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Feature #1658

Feature #1332: Supporting multiple end states instead of just A and B

Electrostatics treatment for multiple lambda sites

Added by Michael Shirts over 4 years ago. Updated about 3 years ago.

Status:
New
Priority:
Normal
Assignee:
Category:
mdrun
Target version:
-
Difficulty:
uncategorized
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Description

Bookkeeping and timing are likely to be challenging when dealing with the electrostatics of many alternate sites. This feature post is for discussion of how to best implement this.

History

#1 Updated by Mark Abraham about 3 years ago

  • Target version deleted (5.x)
  • Private changed from Yes to No

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