Hello everybody
I was wondering if there was the possibility of:
1) modyfing the functional forms of Discover "free" forcefields (in cvff, for example, changing the bond stretching into a cubic potential).
2) applying geometrical costraints (something like RATTLE in Discover) to a ForcitePlus Calculation
Thanks in advance for replies
Regards
Giulio
I was wondering if there was the possibility of:
1) modyfing the functional forms of Discover "free" forcefields (in cvff, for example, changing the bond stretching into a cubic potential).
2) applying geometrical costraints (something like RATTLE in Discover) to a ForcitePlus Calculation
Thanks in advance for replies
Regards
Giulio