# | 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 | } |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |