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Feature #846

Warning messages should be added to programs reducing the precision of coordinates/velocities etc.

Added by David van der Spoel almost 8 years ago. Updated over 3 years ago.

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

Description

When pdb2gmx processes a pdb file to a gro file precision is lost. The same can happen in editconf or trjconv. A warning message should be issued when this occurs.

History

#1 Updated by Rossen Apostolov over 7 years ago

  • Priority changed from Normal to Low

#2 Updated by Erik Lindahl over 5 years ago

  • Tracker changed from Bug to Feature
  • Assignee set to David van der Spoel
  • Target version set to 5.x

#3 Updated by Erik Lindahl over 5 years ago

In principle this would be neat to have for the user, but it might run contrary to the idea of increasing modularization if the highest-level user program needs to be aware of the implementation detail of every single possible output format (what future sub-option to TNG will preserve vs. reduce precision, for instance?).

In particular, many of these minor features start out as nice-to-have, but a couple of years later they lead to lots of extra code we need to maintain. I think a better solution would be to have a text-based description of each output format available in an output module, and then leave it up to the user to decide. If they pick a file format that does lossy compression, that is simply what they will get.

#4 Updated by Erik Lindahl over 4 years ago

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

Three year old feature, but with no activity whatsoever, so I'll assume even David doesn't think it isn't very important. Closing for now - feel free to reopen when somebody plans to actually work on it.

#5 Updated by Mark Abraham over 3 years ago

  • Target version deleted (future)

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