| # | Line 184 | Line 184 | template<typename T> void Integrator<T>::integrate( vo | |
|---|---|---|
| 184 | // initialize the forces before the first step | |
| 185 | ||
| 186 | calcForce(1, 1); | |
| 187 | < | |
| 187 | > | // myFF->doForces(1,1); |
| 188 | > | |
| 189 | if( info->setTemp ){ | |
| 190 | ||
| 191 | thermalize(); | |
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