Dear Amber list members,
I need to estimate RMSD and average value
of interatomic distance over MD trajectory
for two atoms:
The first atom
atom number in protein: 1568
atom type: NE2
Residue # 92, HID
The second atom
atom number in protein: 906
atom type: OG
Residue # 57, Ser
How to write command for cpptraj?
Thank you,
Michael
*****************************
Michael Shokhen, PhD
Associate Professor
Department of Chemistry
Bar Ilan University,
Ramat Gan, 52900
Israel
email: shokhen.mail.biu.ac.il<https://webmail.biu.ac.il/owa/redir.aspx?C=a160ef9b9a6b4d06992402715d3ee465&URL=mailto%3ashokhen%40mail.biu.ac.il>
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Received on Sat Aug 15 2015 - 01:00:03 PDT
