[AMBER] cpptraj hbond - warning message

From: Mahendra B Thapa <thapamb.mail.uc.edu>
Date: Tue, 17 Jun 2014 19:16:16 -0400

Dear Amber Users

Keeping in mind the previous post (
http://archive.ambermd.org/201312/0094.html), my input file for the hbond
analysis is like this:

trajin sample.mdcrd
# mdcrd is a NetCDF AMBER trajectory
rms first mass .C,CA,N
hbond HB out hbond.dat .N,C,H,O series avgout hbavg.dat printatomnum
write solutehb.dat HB[solutehb]

After running the cpptraj command (version V13.17), following warning
message is seen:
Warning: [hbond] Not all arguments handled: [ .N,C,H,O ]

Any suggestion in this issue might be a great help for me.

Thank you,
Mahendra Thapa
AMBER mailing list
Received on Tue Jun 17 2014 - 16:30:02 PDT
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