[gmx-users] i don't know how can i determine emtol

Ali Alizadeh ali.alizadehmojarad at gmail.com
Tue Nov 20 21:38:35 CET 2012

Dear Justin

I am using MD instead of steep, and i have a problem, I do not know
value of emtol so that energy of system reaches to -51 kj/mol, i
determine it then run it but it reaches to -30 kj/mol(only for 1ns)

original results :



Ali Alizadeh

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