Created
October 15, 2015 11:20
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| def get_atom_mass_martini(atomname): | |
| database={ | |
| 'NC3': 72.0 | |
| 'PO4': 72.0 | |
| 'GL1': 72.0 | |
| 'C1A': 72.0 | |
| 'C2A': 72.0 | |
| 'C3A': 72.0 | |
| 'C4A': 72.0 | |
| 'C1B': 72.0 | |
| 'C2B': 72.0 | |
| 'C3B': 72.0 | |
| 'C4B': 72.0 | |
| 'ROH': 77.22 | |
| 'W': 72.0 | |
| 'R1': 0.0 | |
| 'R2': 38.69 | |
| 'R3': 159.65 | |
| 'R4': 0.0 | |
| 'R5': 0.0 | |
| 'C1': 39.44 | |
| 'C2': 72.0 | |
| } | |
| return database[atomname] |
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