Dear AMBER developers and users,
I was wondering what is the use of the TREE_CHAIN_CLASSIFICATION
parameter of the prmtop. Can it be safely modified or does it have an
impact on the calculations?
I would indeed like to use this field as a selection flag, to be able to
define arbitrary selections for restraints, as suggested by Jason Swails
in message 201501/0325 of the mailing list, with something like:
FIND
* * X *
SEARCH
Thank you for your help.
Best regards,
--
Thomas Gaillard
Professeur assistant
Laboratoire de Biochimie
Ecole Polytechnique
91128 Palaiseau cedex
France
tel: +33 1 69 33 48 62
fax: +33 1 69 33 49 09
thomas.gaillard.polytechnique.edu
http://thomasgaillard.fr
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Received on Fri Mar 20 2020 - 05:30:02 PDT
