Quick question:
On Tue, May 25, 2010 at 9:34 PM, wrote:
> The point is exactly that I don't want to perform optimization, so I would
> not change the force field itself but I would just change the "initial"
> structure of my "protonated" protein according to a N-H distance I select.
After you get this "initial" structure with the distances you want, do
you then intend to run MD with it? If so, would that be using the
original force field or the modified one?
Gustavo.
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Received on Tue May 25 2010 - 21:30:04 PDT
