AMBER Archive (2009)

Subject: Re: [AMBER] slope {no reply}

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> Density 1.2380
> what conclusion can we draw from output regarding density (low or high)

I don't know what to expect for your solute/solvent combination.
(I'm more of a programmer than scientist.)

> At equilibrium, the density vs time plot gives approx. constant
> density. Is it sufficiently suggesting that I can use single molecule
> as a solvent..

It sounds like you may well have reached equilibrium. In general,
single molecule as solvent should be fine as long as equilibration
is adequate.

Bill

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• Previous message: Sally Pias: "Re: [AMBER] About zinc parameters ?"
• Maybe in reply to: Jio M: "[AMBER] slope {no reply}"
• Next in thread: Bill Ross: "Re: [AMBER] slope {no reply}"
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