[MMTK] Keep order of molecules

Andreas Fuchs Fuchsan at students.uni-marburg.de
Mon Feb 9 13:51:13 UTC 2009


Dear all!

I have succesfully defined files which specify my molecule so that I  
can add them easily to my universe using the universe.addObject(mol)  
command.

After completition of the simulation, I'd like to write a pdb file  
which has the same atom order as in the MMTK-Inputfile. Unfortunately,  
MMTK changes the order to somethin like c0, c01, c02,..,c10,..,n0, and  
so on. How can I prevent MMTK from doing so?

Thanks for your help!

Best, Andreas





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