[gmx-users] PME in water

Lianqing Zheng lzheng at me.rochester.edu
Tue May 6 00:50:02 CEST 2003

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:

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!


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