Hi,
FMIIW, I think the file $built_directory/config/myconfig.h is just a simply copied file from $source_directory/config/myconfig-default.h.in, containing the default feature of Espresso. You may prove it by modify the content of file $source_directory/config/myconfig-default.h.in with ANYTHING you want (copy the original file to another file name), then compile Espresso with your own "myconfig.h" in $built_directory.
To see whether your modification of $source_directory/config/myconfig-default.h.in will affect the simulation result, you can compare the simulation result before and after you do this modification. I think the result
will be same as long you use the same "myconfig.h" file in $built_directory.
Best Regards,
Agung
----------------------------------------------------------------------
Message: 1
Date: Fri, 14 Aug 2009 16:54:26 -0400
From: Salvador Herrera Velarde <
address@hidden>
Subject: [ESPResSo] Question about compilation
To:
address@hiddenMessage-ID: <
address@hidden>
Content-Type: text/plain; charset="us-ascii"
Hi,
I was running some simulations using the angle potential: Bond_Angle_Cosine, then I decided to
run some simulations using the Bond_Angle_Cossquare, so I just recompile ESPResSO
with
this feature activated,
/* Note: Activate ONLY ONE bonded angle potential out of the following! */
/* #define BOND_ANGLE_HARMONIC */
/* #define BOND_ANGLE_COSINE */
#define BOND_ANGLE_COSSQUARE
However, in my built directory in the folder config ($built_directory/config/) in the header configuration file generated by ESPResSO appears the following lines:
/* potentials */
#define TABULATED
#define LENNARD_JONES
#define LENNARD_JONES_GENERIC
#define MORSE
#define LJCOS
#define LJCOS2
#define BUCKINGHAM
#define SOFT_SPHERE
#define BOND_ANGLE_COSINE -----> It is not the Bond_ANGLE_COSSQUARE
Is this ok? ie., It is ESPResSO working with the activated Bond_Angle_COSSQUARE ?
I recompile twice with the same result! Anyone coul help me to understand?
Thanks a lot,
Salvador
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