I would like to visualise the energy minimisation of a molecule. Therefore
I want to print out the coordinates of the molecule's atoms every given
number of steps (i.e. save a restart file).
This would be the equivalent to a negative NTWR flag in MD simulations. Is
there such a feature in AMBER 8 for energy minimisations?
Thanks for any suggestions!
Regards,
Hannes
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Received on Sun Jun 11 2006 - 06:07:11 PDT
