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Re: [ESPResSo-devel] Nsquare cellsystem and folded positions
From: |
Axel Arnold |
Subject: |
Re: [ESPResSo-devel] Nsquare cellsystem and folded positions |
Date: |
Mon, 13 Aug 2007 17:42:17 +0200 |
User-agent: |
KMail/1.8.2 |
On Monday 13 August 2007 17:31, Kai Grass wrote:
> > PS: Is there any deeper reason why the constraints only work with
> > the LJ
> > ia, and not with other ias as well?
>
> They are not implemented as general interactions but just as LJ
> potential.
Well, that is true at the moment, but actually, the call interface for lj and
for the add_nonbonded_pairforce are quite similar. So, one can just replace
things. We (aka Olaf :-) ) could do it together with introducing the folding.
Axel
--
Dr. Axel Arnold
FOM Institute for Atomic and Molecular Physics
Kruislaan 407 Phone: +31 20 6081 275
1098 SJ Amsterdam, The Netherlands E-mail: address@hidden
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, (continued)
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Axel Arnold, 2007/08/13
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Kai Grass, 2007/08/13
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Olaf Lenz, 2007/08/13
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Axel Arnold, 2007/08/13
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Olaf Lenz, 2007/08/13
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Axel Arnold, 2007/08/13
- [ESPResSo-devel] Cellsystem, folded position, constraints (was: Nsquare cellsystem and folded positions), Ulf Schiller, 2007/08/13
- Re: [ESPResSo-devel] Cellsystem, folded position, constraints, Olaf Lenz, 2007/08/13
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Olaf Lenz, 2007/08/13
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Kai Grass, 2007/08/13
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions,
Axel Arnold <=
- Re: [ESPResSo-devel] Nsquare cellsystem and folded positions, Olaf Lenz, 2007/08/13
- RE: [ESPResSo-devel] Nsquare cellsystem and folded positions, Limbach, Hans Joerg, LAUSANNE, NRC-FS, 2007/08/14