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Convert2NewFile_pot(potfile,mcmfile)
Convert an old *.pot file from MagiC-1.0 format to the MagiC-2.0 file format.
The generated potential-file will have same name as an old one, with additional suffix ".v2."
- potfile*
- - filename of the original "old" ver 1.0 file
- mcmfile*
- - file or list of mcm-files (or mmol-files), in the same order as they were introduced in the respective IMC calculation where the potential was obtained.
Example:
MagicTools.Convert2NewFile_pot('01.dmpc16-100a.i001.pot','dmpc_NM.CG.mcm')
Alexander Lyubartsev
2016-05-03