you can change the distance search ranges (specified by element type)
in EXPEDT. Look for the DISAGL menu.
On Oct 27, 2009, at 4:41 AM, chu...@hkusua.hku.hk wrote:
Dear all,
does anyone of you know how to find/specify the non-bonded
distances with esd
in the GSAS/EXGUI? I checked the outpu
Dear all,
does anyone of you know how to find/specify the non-bonded distances with esd
in the GSAS/EXGUI? I checked the output file from DISAGL, but there
are only distances between "chemical bonds". can i specify a given
atom pair for distance calculation?
many thanks in advance
best reg
