[gmx-users] PME in water

[Lianqing Zheng]

Dear Gromacs pals:

I didn't succeed to use PME in the water system under the "tutor"
directory. The only modification I did in water.mdp was adding a PME line:
coulombtype         = PME

The error was arithmetic exception (again) occurring at solve_pme() in
pme.c. When kx=0, ky=0, kz=5, I got the following d1 and d2:
d1=0.238266,d2=-113907695932561209218061626031210496.000000

Have you got the similar error? My machine is Sun Solaris2.8. Gromacs
version is 3.1.4.

Thank you very much for your kind help!

Lianqing