[gmx-users] To Mark: cg in vaccum

nur avneet nuravneet at yahoo.co.in
Wed Nov 22 09:52:33 CET 2006

Dear Mark
Thanks for your guidance.

But I am not clear with what you wrote regarding my question:
is their any particular value of emtol in mdp 
files of steep and cg, that we should use... I use emtol=1000 in the steep file, and then when i do cg i keep it 100, 50, 10, 8, 2 step by step.

Please explain me.

What value of emtol should i select for cg if this is not correct...(n if not correct then why it is not correct)

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