[gmx-users] stay at some temperature during annealing

[mu xiaojia]

Hi guys,

I am using simulated annealing for my protein+water+Ion system, I tried to
let the system stay at some temperature for a while, e.g.: stay at 600k
from 3000ps to 10000 ps, then gradually cool it down to 298k, so my mdp is
like:

annealing_time = 0 3000 10000 20000 0 3000 10000 20000 0 3000 10000 20000
annealing_temp = 298 600 600 298 298 600 600 298  298 600 600 298


however, error message is:

Found 12 annealing_time values, wanter 9

apparently, the "600 600" does not work, does anyone have any suggestion,
or I could only separate the simulation? Thanks very much!


Jia