Can anyone suggest a way of calculating native contacts from amber
trajectory (mdcrd) files? Is it is possible in ptraj or do I need
additional scripts? So far I have only found scripts that calculate this
for an ensemble of pdb files. However, I currently have ~5000 snapshots
from sander and would prefer not to have to convert them to pdb format. I
am using amber8.
Many thanks in advance,
Anna Bowman
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Oct 29 2006 - 06:07:20 PST
