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/ . / Trajectory / formats / Gromos / Gromos.py / Gromos96Topology
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Methods
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readSolute
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readSolute ( self, lines )
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Exceptions
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ValueError, "Number of solute atoms (%d) not " "equal to NRP (%d)" %( len( atoms ), self.NRP )
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readSolvent
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readSolvent ( self, lines )
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Exceptions
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ValueError, "Number of solvent atoms (%d) not " "equal to NRAM (%d)" %( len( atoms ), self.NRAM )
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__init__
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__init__ ( self, fname )
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readBonds
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readBonds ( self, lines )
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Exceptions
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ValueError, "Number of bonds (%d) not " "equal to NB (%d)" %( len( bonds ), nb )
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