experimental phi-values as restraints

From: regafan_at_usc.es
Date: Wed Jan 10 2007 - 10:08:42 CST

Dear NAMD users,
I have to use experimental phi-values as restraints in a molecular
dynamics simulation to determine a ensemble of structures representing
the transition state of a protein folding, and I don´t know how to
start. Has anybody done something related to that? Does anybody know
where could I find a tutorial of this subject?
Any help would be wellcome!
Thanks a lot in advance. Best wishes,

Rebeca García
Post-doctoral student
Parc Cientifi Barcelona

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