[gmx-users] Whether my simulation is conserved?

[Seera Suryanarayana]

Dear gromacs users,

I have done simulations for 100ns. To know whether my simulation is
conserved, I have preferred to do simulated annealing. I have set the
highest temperature as 350K at 25ns and allowed it go down to room
temperature 300K at 50ns. And eventually I executed the mdrun for 50ns at
300K(you can find SA parameters below). From this simulated annealing
trajectory how can I find global minima of protein?

;simulated annealing
annealing  = single single
annealing-npoints = 3 3
annealing-time = 0 25000 50000 0 25000 50000
annealing-temp = 300 350 300 300 350 300

Surya
Graduate student
India.