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/
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
