MaurĂcio Menegatti Rigo wrote:
IS this a problem?
/System has non-zero total charge: -8.01e+00/
If yes, can I fix that changing COulomb cutt-off to PME electrostatics?
You need to add counterions to your system. Consult some basic tutorial
material, as well as the manual entry for
You should always neutralise your sysem.
On Thu, Feb 25, 2010 at 1:42 PM, MaurĂcio Menegatti Rigo
mauriciomr1...@gmail.com wrote:
IS this a problem?
*System has non-zero total charge: -8.01e+00*
If yes, can I fix that changing COulomb cutt-off to PME electrostatics?
THanks!!
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