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AMBER Archive (2006)Subject: Re: AMBER: problem in calculating EGB using sander for ligand containing F atom
From: David A. Case (case_at_scripps.edu)
On Wed, Nov 08, 2006, VANDANA KUMARI wrote:
> I am calculating EGB of my ligands using sander. I have
We need more information from you:
What is the exact error message? What you list above doesn't seem to be an
What version of sander are you using?
Did you set gbsa to a non-zero value?
In general, providing more context about what your input and output was would
...dac
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