CCL: Freeware Amorphous Builder



 Sent to CCL by: Jussi Lehtola [jussi.lehtola ~~ helsinki.fi]
 On Fri, 2 Sep 2011 07:48:52 +0900
 "Tasaka Tomo t.tasaka(a)gmail.com" <owner-chemistry(~)ccl.net>
 wrote:
 > Sent to CCL by: Tasaka Tomo [t.tasaka . gmail.com]
 > Hello,
 >
 > packmol is a useful tool to build an initial structure for such MD.
 > however, it seems to unsuitable for amorphous solids(e.g. no PBC
 > support).
 You can circumvent this deficiency by creating a slightly smaller box
 with packmol. You'll probably have to cook'n'cool the structure anyway,
 since the created packing is very probably just a local minimum.
 --
 --------------------------------------------------------
 Mr. Jussi Lehtola, M. Sc.         Doctoral Student
 jussi.lehtola(~)helsinki.fi         Department of Physics
 http://www.helsinki.fi/~jzlehtol  University of Helsinki
 Office phone: +358 9 191 50 632   Finland
 --------------------------------------------------------
 Jussi Lehtola, FM                 Tohtorikoulutettava
 jussi.lehtola(~)helsinki.fi         Fysiikan laitos
 http://www.helsinki.fi/~jzlehtol  Helsingin Yliopisto
 TyÃpuhelin: (0)9 191 50 632
 --------------------------------------------------------