no backwards compatibility for the "watermodel" option of configuration file

[iorga]

The "watermodel" option of the configuration file that was present originally in MDPOW was replaced by the more general "solventmodel". Currently, when the "watermodel" option is present in the configuration file, MDPOW ignores it silently and uses the default water model, which is not the desired one.

The backwards compatibility should be ensured for this option.

[orbeckst]

How should this work? Should we just use watermodel as equivalent to solventmodel?

[orbeckst]

Or would it be better to fail when watermodel is encountered?

[iorga]

Both options are fine for me. Probably use watermodel as equivalent to solventmodel is better, as in reality solventmodel is a synonym of watermodel, but with broader applicability.