After geometry optimization for twice in polymer use Forcite Module,then calculation use Forcite Dynamics(choose NVE),come forth an following error :
Dynamics calculation - Deviation in total energy (2.54709e+006 kcal/mol) between successive steps was greater than the specified maximum (50000 kcal/mol).
Could you tell me how to solve this question? Thank you very much.(I'm sorry ,my english isn't good.)
Dynamics calculation - Deviation in total energy (2.54709e+006 kcal/mol) between successive steps was greater than the specified maximum (50000 kcal/mol).
Could you tell me how to solve this question? Thank you very much.(I'm sorry ,my english isn't good.)
