On Mon, Apr 09, 2018, Carlos Romero wrote:
>
> Could someone help me insert H+ atom as an ion?
H+ is just a proton, and there is no straightforward molecular mechanics
way of describing an entity with no electrons (and hence no "size"
comparable to other ions.)
What is called "H+" is actually some combination of H3O+, H5O2+, etc.
Amber doesn't offer any built-in way to describe such species. Don't
forget that under most biochemical conditions (say pH 5 and greater),
the concentration of free "H+" ions is *very* small.
Basically, a hydrogen ion is really quite different from a lithium or
sodium ion.
...regards...dac
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Received on Mon Apr 09 2018 - 19:00:04 PDT
