[gmx-users] question about energy minimization
Mark.Abraham at anu.edu.au
Thu Jul 5 03:21:09 CEST 2012
On 4/07/2012 5:46 PM, reisingere at rostlab.informatik.tu-muenchen.de wrote:
> Hi everybody,
> is there a possibility to define an energy value and when the change of
> the energy between two steps during the minimization is lower than this
> value the minimization is finished?
If it's in manual 7.3.5, you can do it.
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