Gernot,

Thank you!  Do you (or anybody else) know how I can get or generate apbscfg.h which is also causing a compile error?

Regards,

Adrian

Gernot Kieseritzky <gernotf@chemie.fu-berlin.de> wrote:
Hi!

Adrian Kaats wrote:
> 1) How does the value function produce a value for a point that is not a
> grid point? Does it give the nearest neighboring grid point or use some
> sort of interpolation and if so what kind?

It does a simple (tri)linear interpolation -- so you can safely pass
off-grid coordinates.

> 3) I would like to modify value.c, first as in the mail list message
> Here is the output for
> an attempted compilation of value.c:
>
> -------------------------------------------------------------------------------------------------------------
> > gcc -o value value.c
> value.c:44:21: apbscfg.h: No such file or directory
> In file included from /usr/local/include/apbs/apbs.h:55,
> from value.c:45:
> /usr/local/include/apbs/vacc.h:58:25: apbs/vclist.h: No such file or
> directory

Just download the APBS source-package and copy the missing Vclist.h and
Vacc.h files. The APBS installler forgets to copy those files into the
include-path. They declare functions necessary for calculation of the
solvent accessible surface.

Greetings,
Gernot


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