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Task #1699

document change in andersen thermostat behaviour in the code

Added by Mark Abraham over 4 years ago. Updated over 3 years ago.

Status:
Closed
Priority:
Low
Assignee:
-
Category:
mdrun
Target version:
Difficulty:
uncategorized
Close

Description

At https://gerrit.gromacs.org/#/c/4479/1 Michael asked for a comment like "Currently, andersen thermostat does not support constrained systems. Functionality exists in the andersen_tcoupl function in 4.5.7 to allow this combination that could be ported to the current randomization approach, but has not yet been done because of lack of time and resources" in andersen_tcoupl, which is fine.

Putting this here so we remember to do it later

History

#1 Updated by Mark Abraham over 3 years ago

  • Status changed from New to Closed
  • Target version changed from 5.x to 5.1

This got done

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