19 |
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20 |
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21 |
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22 |
< |
void createMdFile(const string&oldMdFileName, const string&newMdFileName, |
22 |
> |
void createMdFile(const std::string&oldMdFileName, const std::string&newMdFileName, |
23 |
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int numMol); |
24 |
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double getMolMass(MoleculeStamp * molStamp, ForceFields * myFF); |
25 |
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246 |
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return 0; |
247 |
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} |
248 |
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249 |
< |
void createMdFile(const string&oldMdFileName, const string&newMdFileName, |
249 |
> |
void createMdFile(const std::string&oldMdFileName, const std::string&newMdFileName, |
250 |
|
int numMol) { |
251 |
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ifstream oldMdFile; |
252 |
|
ofstream newMdFile; |