Re: [AMBER] how to configure/compile to get sander.RISM?

From: Jason Swails <>
Date: Fri, 12 Nov 2010 13:12:13 -0600


Per a previous post on this list by Tyler (I'm having trouble locating it
right now), I think there's a license issue preventing sander.RISM to be
built, since it uses fftw which operates under the GPL -or- a paid
commercial license. The GPL (unlike the LGPL) requires that any software
that incorporates the source code of a GPLed project itself be open source,
which sander is not. (The LGPL does not have this restriction).

For this reason, RISM is only available in Amber through nab.

I hope this helps,

On Fri, Nov 12, 2010 at 12:40 PM, Magdalena Gruziel <>wrote:

> Hello,
> i'd like to test rism but it seems, i do not
> know how to congigure or compile the sources
> to get it.
> Whatever I try [also including XTRA_FLIBS and
> -rismmpi option for the parallel version] no
> sander.RISM/sander.MPI.RISM binaries get created.
> As I understood. rism1d binary is sth different
> than sander.RISM [the latter being for 3d-rism, yes?]
> Should it be perhaps compiled separately?
> does anyone know?
> i would be very grateful for any hints..
> best regards
> magdalena
> _______________________________________________
> AMBER mailing list

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER mailing list
Received on Fri Nov 12 2010 - 11:30:04 PST
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