[gmx-users] REMD

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Wed Jul 31 07:44:26 CEST 2019


Hi,
    I have some doubt regarding REMD simulation.
    1. In the .mdp file of each replica is it necessary to keep the
gen-temp constant?
as example: 300 k is the lowest temp of REMD simulation. Is it necessary to
keep the gen-temp=300 in each replica.
    2. Is it necessary to provide -replex flag during the equilbration
phase of REMD simulation


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