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Colvars / colvars

Collective variables library for molecular simulation and analysis programs
http://colvars.github.io/
GNU Lesser General Public License v3.0
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Backup files consistently with backends #669

Closed giacomofiorin closed 3 months ago

giacomofiorin commented 4 months ago

colvarproxy::backup_files() uses suffixes consistent with NAMD (.old, .BAK) also in GROMACS. This is a bit confusing and easy to forget when cleaning up a folder from backup files.

If possible, this function should be overridden in the GROMACS proxy.