RE: [gmx-users] Possible issues with CVS pull code 200800508

2008-06-19 Thread Bjørn Steen Sæthre
Dear Berk (and whoever else might provide assistance) I have included also my topology file topol.tpr at http://drop.io/gmxpull/topol.tpr. From this you can clearly see that there is no pressure coupling in my pulled system. I still have not resolved the issue of the fluctuation artefacts. Berk,

RE: [gmx-users] Possible issues with CVS pull code 200800508

2008-06-10 Thread Bjørn Steen Sæthre
Dear Berk, Yes, I use the walls only to allow efficient neighboursearch and to be able to utilize PME. You state that I pressure-couple in z, although I have put pcoupl=no and commented out the rest of the p-coupling parameters by initial semicolons in these lines. Have you changed the comme