Looking into the manual, i find under the 'energy monitor group':
'Mutual interactions between all energy monitor groups are compiled
during the simulation. This is done separately for Lennard-Jones and
Coulomb terms. In principle up to 256 groups could be defined, but that
would lead to 256x2
On Fri, Mar 15, 2013 at 7:27 PM, Jeff Woodford <
jwoodf...@missouriwestern.edu> wrote:
> Hi all,
> I am attempting to simulate a system that has strong ionic character so I
> would like to treat the electrostatics and van der Waals interactions
> separately. For example I would like to include al
On 2013-03-15 19:27, Jeff Woodford wrote:
Hi all,
I am attempting to simulate a system that has strong ionic character so I would
like to treat the electrostatics and van der Waals interactions separately.
For example I would like to include all pairs of atoms in the electrostatics
calculatio
Hi all,
I am attempting to simulate a system that has strong ionic character so I would
like to treat the electrostatics and van der Waals interactions separately.
For example I would like to include all pairs of atoms in the electrostatics
calculation but I would like to exclude 1-2 and 1-3 ne
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