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Bug #1113

Expanded ensemble mdp settings need documentation

Added by Sander Pronk over 6 years ago. Updated over 6 years ago.

Status:
Closed
Priority:
Normal
Category:
documentation
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Many of the expanded ensemble mdp options are not yet documented. This includes settings like 'simulated-tempering' that are used in the free energy code.
In addition, this code might need a conceptual introduction in the manual.

History

#1 Updated by Michael Shirts over 6 years ago

Will work on this Friday/Saturday -- with classes starting Monday, will not have time until then.

#2 Updated by Erik Lindahl over 6 years ago

@Michael: Saturday works, but not later. Then it will be pushed to 4.6.1.

#3 Updated by Michael Shirts over 6 years ago

  • % Done changed from 0 to 70

Updated mdp_opt.html file with documentation for all options we want exposed to users (are a few that we don't want to bother them with for now as they really shouldn't be used at the current time). Will need to add more information to the manual to provide a general framework for the methods, but cannot tonight.

#4 Updated by Erik Lindahl over 6 years ago

  • Status changed from New to Closed

Fixed by gerrit 2068.

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