Hi everyone
I have a system made up of part A and B in same box.I want to keep the part A at the given temperature (1000k) and presure during equilibration, while part B is kept at another temperature (500k, no pressure)during equilibration.Then,the thermostat for part B is swiched off and the part A is still kept at the given temperature and pressure by the NPT ensemble during the production run(the temperature of B should not be adjust by the thermostat since the production run starts).To acheive this purpose, I think two different thermostats should be used during the simulation.How to do that?If using two different thermostats is not allowed, how to acheive my goal? I am using Forcite in MS 7.0.
Thanks for you help.
Sincerely
Li
I have a system made up of part A and B in same box.I want to keep the part A at the given temperature (1000k) and presure during equilibration, while part B is kept at another temperature (500k, no pressure)during equilibration.Then,the thermostat for part B is swiched off and the part A is still kept at the given temperature and pressure by the NPT ensemble during the production run(the temperature of B should not be adjust by the thermostat since the production run starts).To acheive this purpose, I think two different thermostats should be used during the simulation.How to do that?If using two different thermostats is not allowed, how to acheive my goal? I am using Forcite in MS 7.0.
Thanks for you help.
Sincerely
Li
