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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 almost 5 years ago. Updated over 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 over 3 years ago

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

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