|
From: | Paul Peterson |
Subject: | Re: [ESPResSo-users] Lennard-Jones interaction in NaCl tutorial |
Date: | Tue, 3 Mar 2015 14:57:24 +0100 |
Hi,
it's
#define LENNARD_JONES
and not
#define LENNARD-JONES
This could be the origin of the problem.
Cheers,
M.
--
On Tue, Mar 3, 2015 at 2:34 PM, Paul Peterson
<address@hidden> wrote:
> Hi everybody,
>
> I'm new to ESPResSO - and quite new to Linux.
> I'm trying to run the "first simulation script" (pages 16 and following of
> the User's Guide) for the NaCl crystal and I get:
>
> excessive parameter/unknown interaction type "lennard-jones" in parsing non
> bonded interaction
> while executing
> "inter 0 0 lennard-jones $eps $sig $cut $shift 0"
>
> Sounds like I didn't activate a required feature?
> But myconfig.hpp reads:
>
> #define ELECTROSTATICS
> #define LENNARD-JONES
>
> So, what's missing, if anything?
>
> Thanks,
>
> Paul
Institut für Computergestützte Biologische Chemie
University of Vienna
PGP public key on MIT server http://goo.gl/zlIZix
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