Dear Sir or Madam,
I have a system that contains hundreds of particle. I want to change the
temperature of systems that be a fraction of previous temperature several
times. how can I do this. I did some thing like this for size of box with
fix 4 all deform 100000 x scale 0.46 y scale 0.46 z scale 0.46 , but for
temperature I don't know how do some thing like this.
thanks.
Dear Sir or Madam,
I have a system that contains hundreds of particle. I want to change the
temperature of systems that be a fraction of previous temperature several
times. how can I do this. I did some thing like this for size of box with
fix 4 all deform 100000 x scale 0.46 y scale 0.46 z scale 0.46 , but for
temperature I don't know how do some thing like this.
i already answered the same question yesterday. use the velocity command.
velocity command scale the velocity in a way that temperature be a fix
amount. but i want temperature change like this for example: 10 , 1 , 0.1
, 0.01 ,... . i want it change multiplicative. do you have a suggestion?
Not sure if this would work, but I imagine you could fashion a variable that changes by an integer every 100000 timesteps (based on your example with deform), for example floor(timestep/100000) and use that integer to determine the temperatures, in your case 10^(-x) would work. Then use the v_blah syntax for Tstart and Tstop (assuming thermostats can accept variables, this I'm not sure about).