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