[gmx-users] no periodicity in z, very high Temperatures
axk47 at psu.edu
Wed Jun 29 21:46:09 CEST 2005
Typically, in order to simulate interfaces so to have no periodicity in z but in
x, y , I need to extend
the box along the dimension perpendicular the z-) plane by approximately 3
times the system size in this dimension.
and also I should use the PME with a correction term, so called "Ewald 3dc"
My question is that if you also have water in the box and use ~500 K it will not
evaporate? can I still use the above at high T (~500 K)
More information about the gromacs.org_gmx-users