From: Mark M Huntress (markmh_at_bgsu.edu)
Date: Mon Mar 01 2010 - 16:47:47 CST
Hi, I just did a slow heat, for which I set my cell basis vectors equal to the solvent box dimensions. After the slow heat, the box has increased in size. Do I need to respecify the cell basis vectors to the larger values when restarting?
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:55:31 CST