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xmol2gro

Converts *.xmol file ifilename* to a *.gro file ofilename*.
molnames*
- list of molecular types that are present in the system
nmols*
- list stating how many molecules of the respective type are present in the system
natimol*
- list stating how many atoms each molecular type has
nconf
- how many configurations to write.
Example: MagicTools.xmol2gro(input.xmol, output.gro, molnames=['DMPC','WAT'],
nmols=[98,2700], natimol=[118,3], nconf=1)



Alexander Lyubartsev 2016-05-03