[gmx-users] coulomb energies

[Edgar Luttmann]

Hi,

if I set the coulombtype to user and supply a table.xvg, which contains only 
zeros, I would have expected to turn off the coulomb interactions.

But the coulomb-SR stays at some small value -27 or -48 (version 3.1.4 and 
3.2.1 respectively) as the value is on the order of -11000 if I use the 
cut-off. Furthermore I get several LINCS Warning upon turning off the coulomb 
interaction.

Any suggestions where this coulomb energy and the "instability" comes from?

Cheers
Edgar

--
Edgar Luttmann

Stanford University, Stanford, CA, USA
Folding at home - distributed computing