[gmx-users] REMD with different structures

[ruchi lohia]

Hi


I am trying to do NVT  REMD simulations with gromacs. I have 60 replicas
and each of them have different starting structure . The starting
structures have same number of atoms but slightly different volume and
pressure. I was able to run these simulations but I want to know if having
different volume and pressure is affecting the exchange probability, and if
it does, is it being included in the gromacs REMD simulations ? Please
suggest a method to verify it .

-- 
Regards

Ruchi Lohia
Graduate Student