| # | Line 50 | Line 50 | class Integrator : public BaseIntegrator { (protected) | |
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| 50 | ||
| 51 | double dt; | |
| 52 | double dt2; | |
| 53 | < | const double eConvert; |
| 53 | > | const double eConvert = 4.184e-4; // converts kcal/mol -> amu*A^2/fs^2 |
| 54 | ||
| 55 | ||
| 56 | double* pos; | |
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