Dear communitors

Recently, i tried to calculated simulated annealing process in dom3.

Actually, the simulated annealing process is not involved in dmol3 howerver i found that it is possble to revise the input file directly in the section of MD_Simann_panel

The problem is that there is no example to compare with my calculations.

I just want to calculate annealing from 300K to 1300K within 5 ps time scale, then cooled the molecule to 100K within 30 ps time scale

Could someone give me a comment whether my option is right or wrong??

I changed MD_Simann_panel section in input file like this

MD_Simann_panel

  500  MD_NVT   300     2.0                                        

  5000  Melt     300     1300                                       

30000  Quench continue  100

Sincerely