AMBER Archive (2007)

Subject: AMBER: experimental phi-values as restraints

From: rebeca_at_mmb.pcb.ub.es
Date: Wed Jan 10 2007 - 10:06:11 CST

Dear AMBER 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
Spain
rebeca_at_mmb.pcb.ub.es

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