AMBER Archive (2007)

Subject: AMBER: rmsd calculation in ptraj

From: gurpreet singh (gps.iitm_at_gmail.com)
Date: Sat Mar 10 2007 - 07:24:50 CST

hello amber users

i m using ptraj module in amber9 to calculate the rmsd( backbone only)
over the full trajectory, taking the crystal structure as the reference but
i m getting very high vvalues in the range of
35 to 37 although there is no major change in my structures. i tried to
find the rmsd of the individual structures of the trajectory using VMD

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu