Re: Re: [gmx-users] problem with exchange probabilities in remd

] problem with exchange probabilities in remd OZGE ENGIN wrote: Hi all, I am performing a remd simulation of a peptide+water system. I have tried different temperature distributions. I am using an NVT ensemble. My temperature coupling constant is 0.1 ps. The problem is that upon increasing

[gmx-users] problem with exchange probabilities in remd

Hi all, I am performing a remd simulation of a peptide+water system. I have tried different temperature distributions. I am using an NVT ensemble. My temperature coupling constant is 0.1 ps. The problem is that upon increasing the temperature difference between the two replicas more than two

Re: [gmx-users] problem with exchange probabilities in remd

OZGE ENGIN wrote: Hi all, I am performing a remd simulation of a peptide+water system. I have tried different temperature distributions. I am using an NVT ensemble. My temperature coupling constant is 0.1 ps. The problem is that upon increasing the temperature difference between the two