[gmx-users] Question about parameters for simulation annealing

lazaro monteserin lamonteserincastanedo at gmail.com
Fri May 8 04:14:16 CEST 2020

Dear Gromacs users,
I am trying to run a simulation annealing using Gromacs of a small
molecule. Does anybody knows if there is a protocol to set up the annealing
parameters for Gromacs; initial temperature, final temperature,
annealing-npoints, annealing-ntimes and the annealing-temp? My total
simulation time is 10ns and I collect frames every 200 fs.
       Kindly, Lazaro

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