AMBER Archive (2009)

Subject: [AMBER] MMPBSA on a selected region

From: ERIK.LAURINI_at_phd.units.it
Date: Thu Dec 10 2009 - 12:20:19 CST

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

-erik-

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