Dear Bob,
Does selected apply to minimize FIX ?
1) I mean if I preselected atoms and then I run minimize FIX selected, Does
it work by any chances?
2) can you expalin me again how you would add a new atom, into a
pre-existing structure, knowing its Cartesian coordinates. I lost the e-mail
you sent me 1 or 2 weeks ago.
Thanks, Piero
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Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom
e-mail: pc...@kent.ac.uk
mobile: +44 (0) 7772-9756456
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