Thanks to everybody for quick answers and the suggestions! Unfortunately
the server I was running the simulations on (and has the trajectories) went
down yesterday. I'll get back to you once I have access back.
István Lőrincz
2016-12-28 3:08 GMT+01:00 David Case <david.case.rutgers.edu>:
> On Tue, Dec 27, 2016, Chris Moth wrote:
>
> > Is there any chance this is a long simulation, and the "missing waters"
> > have wandered into other periodic cells - and you not wrapped them back
> > into the main cell for analysis?
> >
> > Are the dimensions of the simulation cell also changing dramatically
> > between AMBER and GROMACS?
>
> Or, what is pretty much the same thing: what are the densities of the two
> simulations? But Chris' suggestion seems like the first one to rule in or
> out.
>
> ....dac
>
>
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Received on Wed Dec 28 2016 - 01:00:03 PST
