[gmx-users] Center of mass motion removal for partial filled PBC box

Dear GMXers, I would like to reproduce the water droplet contact angle on graphite surface, as in Werder, T.; Walther, J. H.; Halicioglu, T.; Koumoutsakos, P. *J. Phys. Chem. B* *2003*, *107*, 1345-1352. The box size is 20nm by 20nm by 30nm. Graphite is represented by a two-layer carbon sheet.

Re: [gmx-users] Center of mass motion removal for partial filled PBC box

On 28/01/2011 4:25 AM, WU Yanbin wrote: Dear GMXers, I would like to reproduce the water droplet contact angle on graphite surface, as in Werder, T.; Walther, J. H.; Halicioglu, T.; Koumoutsakos, P. /J. Phys. Chem. B/ *2003*, /107/, 1345-1352. The box size is 20nm by 20nm by 30nm. Graphite