CCL: shifting coordinates with CHARMM
- From: Hannes Loeffler
<hloeffler..at..lac.chem.nagoya-u.ac.jp>
- Organization: Nagoya University
- Subject: CCL: shifting coordinates with CHARMM
- Date: Thu, 22 May 2003 09:29:35 +0900
Hi,
is it possible to re-center coordinates with CHARMM? Some viewing programs
are not aware of PBCs and during a simulation the system of interest may
diffuse to the edges of the box. It might be useful, therefore, to shift an
atom (or maybe an arbritary point in space) to the center of the box.
TIA,
Hannes.