AMBER Archive (2009)
Subject: [AMBER] RMSD vs time and RMSD vs residues
From: Olotu Odunayo (paxoo_at_nottingham.ac.uk)
Hi I was wondering if anyone knows how to calculate RMSD vs time in AMBER 10, if you have written your trajectory files (ntwx) in number of different steps e.g
I have used
i get an output, but then the time scale on x-axis didn't come out right?
has anyone got a sample script on how i can calculate RMSD, to find out how much particular residues have moved.
This message has been checked for viruses but the contents of an attachment