Ok, thanks, I may just do that
On Tue, Sep 24, 2013 at 2:42 PM, Mark Abraham wrote:
> The FF+water combinations still work the same way they did 3 years
> ago! :-) The important question is whether validation for the
> observables has occurred. (And no relevant problems were seen). If the
> pape
The FF+water combinations still work the same way they did 3 years
ago! :-) The important question is whether validation for the
observables has occurred. (And no relevant problems were seen). If the
paper does not support its decision to mix and match, go and ask them
why it was reasonable!
Mark
Dear all,
I have been trying to evaluate a paper that used amber99 with SPC water to
simulate a protein. How would this affect the results, is it important? I
googled for a bit, all I found was:
"Amber, charmm and OPLS-AA were developed with TIP3P, and that should be
the default. Except that charm
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