[AMBER] Problem related to the RMSD

From: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>
Date: Mon, 5 Nov 2012 14:37:27 +0800 (SGT)

Dear all,

Is the RMSD calculation using ptraj depends on the size of trajectory file or number of the snapshots in the trajectory file? 

My trajectory file size is more than 4 GB and there is 2000 snapshots. Can I use this file as a input of ptraj for RMSD calculation?

With best regards
Sindrila    
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Nov 04 2012 - 23:00:02 PST
Custom Search