AMBER Archive (2008)

Subject: AMBER: Jarzynski

From: fatima.chami_at_durham.ac.uk
Date: Fri May 30 2008 - 06:44:41 CDT

Dear Amber users,

I want to restraint the reaction coordinate between the center of mass of a
given residue and its initial COM ... without referring to any other residues so
that
the constrained dynamic will be just on the residues I am interested to pull out

if this is possible ..how can I set up the restraint file

any help ...

Best wishes
Fatima

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