Re: [AMBER] Phi/psi to free energies

From: Ben Roberts <ben.roberts.geek.nz>
Date: Thu, 17 Nov 2011 13:39:55 -0500

Hi Lekpa,

Apologies for the delay and for breaking the thread; I blew your original email away and then remembered that a colleague had pointed it out to me.

I have such a script, which I'm putting the finishing touches on and getting the licensing information finalised; it takes two columns of floating-point numbers (in your case, the phi angles in one column and the psi angles in another) and computes a heat map from there. I hope to get it ready for release by some time next week; I'll let you know whether and when it will be available as more information comes to hand.

Regards,
Ben Roberts
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Received on Thu Nov 17 2011 - 11:00:02 PST
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