Re: [AMBER] cpptraj RMS calculations appear to be incorrect

From: Bellesis, Andrew G <AGB53.pitt.edu>
Date: Tue, 3 Dec 2019 16:00:41 +0000

Hi Carlos,

You suggestion to use nofit on the RMS calculations of each individual helix after calculating the best-fit of all helices together solved my problem. Thank you!

-Andrew
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Dec 03 2019 - 08:30:01 PST
Custom Search