On Mon, Jul 25, 2016, yunshi11 . wrote:
>
> I'd like to run MD for a polysaccharide and check how stable some
> inter-residue interactions are. Due to limitation of computational
> resources, I am thinking of using implicit solvent with Glycam force field.
Just to add to what Lachele and Carlos said: are you sure that explicit
solvent calculations are beyond your computational resources? The difference
between implicit and explicit solvent simlations in terms of expense is often
less than people think....
...dac
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Received on Mon Jul 25 2016 - 07:30:03 PDT
