On Wed, Jan 25, 2012, Sai Kumar Ramadugu wrote:
> According to the authors' approach:
> Step1: N0 + N0 ---> K+ + Cl-
> Step2: K+ + N0 ---> N0 + Cl-
I had not seen this approach before, so cannot provide any relevant
experience.
> Further I noticed that when I set dvdl_norest = 1, the free energy part of
> the output file does not print this option.
Sounds like a bug; we'll try to get that printed in future releases. You can
add the print statement yourself if you want to be sure what value the program
is using.
....regards....dac
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Received on Thu Jan 26 2012 - 05:30:02 PST
