[gmx-users] Compiling GROMACS with FORTRAN?

[David van der Spoel]

Ivano Eberini wrote:
> Dear all,
> 
> we have just installed GROMACS-3.3.2 on a BlueGene (BG/L) cluster, 
> compiling it without FORTRAN.
> Do you deem it could be better to recompile it adding "--enable-fortran"?
> 
the proof of the pudding is in the eating.
please try it.

> Thanks in advance for any suggestion.
> 
> Best regards,
> Ivano
> --
> Ivano Eberini
> Gruppo di Studio per la Proteomica e la Struttura delle Proteine
> Dipartimento di Scienze Farmacologiche
> Università degli Studi di Milano
> Via Giuseppe Balzaretti, 9
> 20133 - Milano
> tel.: +39-02-50318395, fax: +39-02-50318284
> 
> "Quelli che scavano il sole, cercando un'ombra migliore"
> 
> 
> 
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se