Best regards,
Pavel I. Semenyuk
Mark Abraham wrote:
>Pavel Semenyuk wrote:
>Dear gmx users,
>I run lipid bilayer simulations in parallel (gromacs v4.0.2), and I have
> fatal
>error:
>4 particles communicated to PME node 2 are more than a cell length out of
Dear gmx users,
I run lipid bilayer simulations in parallel (gromacs v4.0.2), and I have fatal
error:
4 particles communicated to PME node 2 are more than a cell length out of the
domain
decomposition cell of their charge group
How can I fix it? Thank you in advance
Best regards,
Pavel I. Seme
ure that you set up your coordinates and topology file
> correctly.
>
> Cheers,
>
> Tsjerk
>
> 2009/5/6 Pavel Semenyuk :
> > Dear colleagues,
> >
> > I want to put in my cell a lot of molecules (f.e., 32 lipids), and I make
> > for it a very
> > b
coordinates and topology file
> correctly.
>
> Cheers,
>
> Tsjerk
>
> 2009/5/6 Pavel Semenyuk :
> > Dear colleagues,
> >
> > I want to put in my cell a lot of molecules (f.e., 32 lipids), and I make
> > for it a very
> > big box, put my molec
Dear colleagues,
I want to put in my cell a lot of molecules (f.e., 32 lipids), and I make for
it a very
big box, put my molecules into this box (without water) and then do simulations
with
pressure coupling to make my box smaller. So, how can I make my molecules
inflexible? if
I set links or s
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