error in replica exchange

hello everyone,

I am using lammps-11Aug17,want to use the command the temper

variable t world 300.0 400.0 500.0
fix NoseHoverTemperatureFixing ionic nvt temp {t} {t} 100.0 tchain 3
fix MomentumDriftCorrection ionic momentum 100000 linear 1 1 1 rescale angular
velocity ionic create {t} 12345678 dist uniform temper 10000 100 {t} NoseHoverTemperatureFixing 3847 58728

Run the simulation

run 100000

following the commands i m using,but a/q to my log file the command is not working properly

Step T0 T1 T2
4800000 0 1 2
4800100 0 1 2
4800200 0 1 2
4800300 0 1 2
4800400 0 1 2
4800500 0 1 2
4800600 0 1 2
4800700 0 1 2
4800800 0 1 2
4800900 0 1 2
4801000 0 1 2
4801100 0 1 2
4801200 0 1 2
4801300 0 1 2
4801400 0 1 2

instead of using the temperature 300,400,500 when i m using

variable temperature world 350 352 354 356 358 360 362 364,the exchange happens

Step T0 T1 T2 T3 T4 T5 T6 T7
4800000 0 1 2 3 4 5 6 7
4800010 1 0 3 2 5 4 7 6
4800020 0 1 2 3 4 5 6 7
4800030 0 1 2 4 3 6 5 7

i dont know why this is happening??plpl help!

thanks in advance

hello everyone,

I am using lammps-11Aug17,want to use the command the temper

variable t world 300.0 400.0 500.0
fix NoseHoverTemperatureFixing ionic nvt temp \{t\} {t} 100.0 tchain 3
fix MomentumDriftCorrection ionic momentum 100000 linear 1 1 1 rescale
angular
velocity ionic create \{t\} 12345678 dist uniform temper 10000 100 {t} NoseHoverTemperatureFixing 3847 58728
# Run the simulation
run 100000

following the commands i m using,but a/q to my log file the command is not
working properly

i disagree with your assessment. with 100K difference between replica
the probability of exchange is *much* smaller than for using
differences of 2K.
this means, that you have not understood how REMD works,not that
LAMMPS is wrong. it does follow the physics of your input.

axel.

thank you sir,