[gmx-users] REMD Simulation for a system at different Concentration

Dear all, I am planning to do REMD for a system containing Protein, Urea, Osmolyte and water, I want to generate the temperature replica. So the REMD temperature generator asks for number of water molecules only, but here in my case there are something more in the system, So is it fine that I

Re: [gmx-users] REMD Simulation

Hi, On Mon, Apr 16, 2018 at 10:21 AM ISHRAT JAHAN wrote: > Dear all, > I am trying to do REMD simulation in different cosolvents. I have generated > temperatures using temperature genrating tools but it gives different > number of temperatures in different solvents with

[gmx-users] REMD Simulation

Dear all, I am trying to do REMD simulation in different cosolvents. I have generated temperatures using temperature genrating tools but it gives different number of temperatures in different solvents with exchange probability of 0.25. Is it fair to do remd with different replicas? In what way it