[AMBER] remap umbrella sampling free-energy

From: Giuseppe De Marco <G.De-Marco.sussex.ac.uk>
Date: Mon, 11 Oct 2010 18:57:22 +0100

Dear Amber users,

I have an ensemble of umbrella simulations, which have been biased on a specific reaction coordinate.
  
I was wondering if is there any available code, which can be used to remap the free energy on two different reaction coordinates ( not biased during the simulation).

Thanks a lot for your help

Giuseppe De Marco.


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Received on Mon Oct 11 2010 - 11:30:04 PDT