On Wed, Sep 5, 2012 at 8:37 PM, Peter C. Lai <[email protected]> wrote: > Could be a result of not setting x/y compressibility = 0 as the manual > suggests you should do...
As one who has also tried to use walls recently, I've also found this statement in the manual, but no further explanation. Anyone cares to expand on it ? For testing, I've recently performed a run with compressibility=0 for z and non-zero for x/y (so, exactly opposite to what the manual suggests :)). The box deformed as expected in x/y and the pressure seemed to be maintained correctly. Is there some reason for which this would be a random (i.e. not easily reproducible) result ? Or are there some less obvious problems with it ? Bogdan -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
