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Copy file name to clipboardexpand all lines: OpenSMOG/OpenSMOG.py
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@@ -656,11 +656,10 @@ def loadGro(self, Grofile):
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ifnotos.path.exists(Grofile):
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SBM.opensmog_quit("Could not find gro file {}".format(Grofile))
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try:
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else:
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print("Will try to load coordinates from {}".format(Grofile))
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self.Gro=GromacsGroFile(Grofile)
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except:
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SBM.opensmog_quit("Failed to load {}".format(Grofile))
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defloadTop(self, Topfile):
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R"""Loads the *.top* file format in the OpenMM system platform. The input files are generated using SMOG2 software with the flag :code:`-OpenSMOG`. Details on how to create the files can be found in the `SMOG2 User Manual <https://smog-server.org/smog2/>`__.
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