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From: | Dudo |
Subject: | Re: [ESPResSo-users] fully attractive potential |
Date: | Wed, 27 Jul 2016 17:50:55 +0200 |
We've had a similar discussion a few years back and concluded that Espresso does not (and should not) prevent you from using such values because it is the user's responsibility to have the physics right. Negative time step is possible but it does not mean you can simulate the past. If you use purely attractive potentials, then the ground state is all particles in one spot = a black hole. Is that what you are aiming for?Greetings,peter--On Wed, Jul 27, 2016 at 1:53 PM, Georg Rempfer <address@hidden> wrote:I see nothing wrong with either of the two. If you try it please let us know whether the interface allows you to use these parameters.On Wed, Jul 27, 2016 at 1:24 PM, Dudo <address@hidden> wrote:Hi,is it a proper way to set the r_off parameter in the Lennard-Jones interactionto an negative value in order to get a fully attractive potential?Or, similarly, could I set the epsilon in gaussian interaction to a negative value,or negative values are somehow ignored?Thank youDusan--_____________________Faculté de biologie et de médecineCenter for Integrative GenomicsGENOPODE UNIL-SORGEUniversité de LausanneCH1015 Lausanne, Suisse [+]Scholar: https://goo.gl/oRVrGVPolymer Institute of the Slovak Academy of SciencesDubravska cesta 3845 41 Bratislava, Slovak Republic [‡]tel: +421 2 3229 4321www.natur.cuni.cz/chemistry/fyzchem/Přírodovědecká fakulta Univerzity Karlovy v PrazeKatedra fyzikální a makromolekulární chemieFaculty of Science, Charles University in Prague, Czech RepublicDr. Peter Košovan
Department of Physical and Macromolecular Chemistry
Tel. +420221951290Fax +420224919752
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