On Tue, Mar 25, 2014, Urszula Uciechowska wrote:
>
> I would like to run MD for DNA-protein complex for igb=1. The charge of my
> complex is -44, should I add ions in leap before saving the promtop and
> crd files?
No. Amber's generalized Born parameters were designed for use without
explicit ions. Consider setting the salt concentration to the value
appropriate for experiments you might be comparing to.
...dac
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Received on Tue Mar 25 2014 - 05:00:02 PDT
