[gmx-users] Minor Bug in latest stable release update

[Maik Goette]

Hi

I found a missing entry in include/pme.h. Could be connected to the free 
energy/PME problems, Berk recently solved.
In the declaration of spread_on_grid, there's a variable in the function 
missing.

This is how it looks:
extern void spread_on_grid(FILE *logfile,
			   t_fftgrid *grid, int homenr,
			   int pme_order,   rvec x[],
			   real charge[],   matrix box,
			   bool bGatherOnly,bool bHaveSplines);

This is how it should:
extern void spread_on_grid(FILE *logfile,
			   t_fftgrid *grid,  int homenr,
			   int pme_order,    rvec x[],
			   real charge[],    matrix box,
			   bool bGatherOnly,
			   bool bFreeEnergy, bool bHaveSplines);

Leads to a break while compiling GROMACS

Regards
-- 
Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Germany
Tel.  : ++49 551 201 2310
Fax   : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
         mgoette2[at]gwdg.de
WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/