22 Feb
2008
22 Feb
'08
2:26 p.m.
hi guys,
i discovered the MD optimizer in imp and i am interested in using it. when studying the input, i am missing something: how is the temperature equilibrated? there is no parameter for that in the input (equil in dodgy old modeller). also in the source code i did not figure out where the temperature is actually used... is the function safe to be used now? or should i rather not?
thanks
frido