> People that still use "leaprc.ff14SB" will still get their "old" behavior
> that won't break workflows. People that use the new,
> recommended force field leaprc will get the 'newer' behavior.
I would like to take this moment to suggest force-field file versioning in any case.
This can wait (or be ignored), but it t has always bothered me that the contents of the files might silently change.
Here's our system:
http://glycam.org/docs/forcefield/versioning-information/
Briefly: new letter = new function; new number = fixed error. Letters contain all changes for the previous letter.
Otherwise, I like the general direction of the discussion, so I don't have a lot more to add.
:-) Lachele
Dr. B. Lachele Foley
Associate Research Scientist
Complex Carbohydrate Research Center
The University of Georgia
Athens, GA USA
lfoley.uga.edu
http://glycam.org
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Received on Mon Mar 09 2015 - 12:30:02 PDT
