| # | Line 174 | Line 174 | template<typename T> void Integrator<T>::integrate(voi | |
|---|---|---|
| 174 | // initialize the forces before the first step | |
| 175 | ||
| 176 | calcForce(1, 1); | |
| 177 | < | // myFF->doForces(1,1); |
| 178 | < | |
| 177 | > | |
| 178 | if (info->setTemp){ | |
| 179 | thermalize(); | |
| 180 | } | |
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