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Re: [ESPResSo] p3m method

From: Owen Hickey
Subject: Re: [ESPResSo] p3m method
Date: Wed, 18 Feb 2009 12:25:18 +0100

It sounds like you may have compiled Espresso with electrostatics disabled.  Try recompiling with the line
/* #define ELECTROSTATICS */
replaced with
in the file myconfig.h.  Espresso only compiles certain routines depending on which lines are commented (/* text between these symbols is commented */) and those which are not in the file myconfig.h.  The P3M method requires that you compile with the electrostatics package.  I hope this helps!


2009/2/18 martina pannuzzo <address@hidden>
I'm a begginer, I'm using the script Espresso pe_solution.tcl and it return error message: do not know Coulomb method "p3m" Coulomb switched while executing /sample/pe_solution.tcl. if I disable the command for p3m, the simulation go on but without coulomb interaction. It's inclused p3m? what can i do? thanks

Crosswire, il gioco delle relazioni. Sei pronto per la sfida?

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