Anna Marabotti wrote:
Dear Justin,
I would like to say that you were true, but it isn't! :-(
I launched the minimization steps first changing in my em.mdp file the
emstep from 0.1 to 0.01 as you suggested, then using directly your minim.mdp
file from the lysozyme tutorial to create the .tpr:
i
Dear Justin,
I would like to say that you were true, but it isn't! :-(
I launched the minimization steps first changing in my em.mdp file the
emstep from 0.1 to 0.01 as you suggested, then using directly your minim.mdp
file from the lysozyme tutorial to create the .tpr:
integrator = stee
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