[gmx-users] Energy minimization

Amit Choubey kgp.amit at gmail.com
Mon Jan 17 09:38:10 CET 2011


Check your log file to see if the minimization criterion was satisfied ie
the max force is less than emtol.

On Mon, Jan 17, 2011 at 12:29 AM, bharat gupta <bharat.85.monu at gmail.com>wrote:

>
> The potential energy graph is not coming parallel to x-axis is getting down
> towars the x-axis .. normally it should be paralle to x-axis..
>
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> Bharat
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