AtomicGroup namd_model = createSystem("model.pdb");
AtomicGroup gro_model = createSystem("model.gro");
AtomicGroup amber_model = createSystem("model.parmtop");
AtomicGroup tinker_model = createSystem("model.xyz");
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AtomicGroup namd_model = createSystem("model.pdb");
AtomicGroup gro_model = createSystem("model.gro");
AtomicGroup amber_model = createSystem("model.parmtop");
AtomicGroup tinker_model = createSystem("model.xyz");
|