Dear All, I just run the command gmx energy -f em.edr -o potential.xvg for my energy minimization step MD, but I find the RMSD given by this command is 142611, which I regard to be too high. Will you please explain to me what leads to the so high RMSD (Err.Est is 53000, Tot-Drift is -341107 KJ/mol)? I am looking forward to getting your reply. Brett -- Gromacs Users mailing list
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