|Subject:||Re: [ESPResSo-users] Turn off non-bonded interactions between bonded particles|
|Date:||Mon, 17 Feb 2014 09:24:33 +0100|
On 15.02.14 15:38, Wozniak, Matthew C wrote:
Dear ESPResSo users,Any help is appreciated!
Is there a way to turn off the non-bonded interactions between bonded particles so that those interactions do not interfere with the bonded interaction?
What you are looking for is called exclusions, see the user's guide. However, as Florian pointed out, this will not exclude electrostatic or hydrodynamic long range interactions. Since these are at least partially mediated by coupling to some kind of (lattice) field, they cannot be easily switched off.
If you need electrostatics to be excluded for particular pairs, you would need to create a bonded electrostatics interaction and subtract the contribution manually.
JP Dr. Axel Arnold
ICP, Universität Stuttgart
70569 Stuttgart, Germany
Tel: +49 711 685 67609
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