Dear friends,
I need your assistance with a Dynamic Equilibration routine.
My system is a higher order DNA structure (G-quadruplex) contain 21mer single strand solvated in a 10 Angstrom orthorhombic explicit solvents with 150 mM counter ions.
After running dynamics heating to 300 K for 10 ps which only took 2 hours. I decided to run Dynamics Equilibration at 300 K for 1 nanoseconds.
Since I scaled up the total dynamics time by 100 times (10 ps to 1ns ), should I expect that the Dynamics Equilibration to take 100 times longer (200 hours) ?
I have been running this Dynamics Equilibration for the past 200 hours and it still not finished.
I greatly appreciate any suggestion or comments from you.