AMBER Archive (2002)

Subject: Torsion driving

From: ch cureton (charlie_at_pugh.bip.bham.ac.uk)
Date: Thu Sep 26 2002 - 11:00:34 CDT

Dear amber users,
I am currently having difficulties in extracting coordinate sets during a
torsion drive. I have used the energy vs torsion angle interface script
and have tried to alter this to archive a set of successive coordinates
but don't seem to be able to get it to work. Does anyone have any ideas as
to the easiest method of both scanning a torsion and recording the
corresponding coordinates?
 Thank you for your help
Charly