Re: [gmx-users] poor performance in Hemiltonian Replica Exchange

4.6 will include Hamiltonian replia exchange functionality built into the MPI version. Currently the description of the error is very vague -- if you can write up what exactly the numbers are, and what they should be, with files that exactly replicate the error, then I can take a look. But unless

[gmx-users] poor performance in Hemiltonian Replica Exchange

Dear gromacs users, I performed a Hemiltonian Replica Exchange (i.e. replica exchange where each replica has a init_lambda=0, delta_lambda=0 and init_lambda ranging uniformely from 0 to 1). Since I have only ten fixed discrete lambda, I run a Temperature Replica Exchange where, for each replica I