According to Appendix E of the Amber 8 Manual, box information should be
written to traj files only for periodic systems, and indeed, this is how
sander behaves. But ptraj, given a parm file for a non periodic system
(i.e. one in which IFBOX=0), produces an output traj file with spurious
periodic box info given as three zeros.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Aug 16 2004 - 09:53:00 PDT
