[AMBER] MMPBSA on a selected region

From: <ERIK.LAURINI.phd.units.it>
Date: Thu, 10 Dec 2009 19:20:19 +0100

Dear Amber users,
I have a question about MMPBSA with AMBER9. I would define a sphere of 15 Angstrom from my ligand on which calculate entropy contribution. In this way I'll reduce the memory requirement because my system is too big, therefore it's not possible calculate entropy with nmode on all complex. I start from a complete (ligand, receptor, ions, solvent) .mdcrd file. How can I do it?
Any help will be welcome!!!!
Best regards


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Received on Thu Dec 10 2009 - 10:30:02 PST
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