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
autoimage
rms first mass .C,CA,N
hbond HB out hbond.dat .N,C,H,O series avgout hbavg.dat printatomnum
run
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 ]
[run]
Any suggestion in this issue might be a great help for me.
Thank you,
Mahendra Thapa
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Received on Tue Jun 17 2014 - 16:30:02 PDT
