Hi. I was wondering if there is a way to remove the rotation of a protein
during cpptraj post-processing. I want to obtain an imaged trajectory with
the closest water molecules to a specified residue, but so far, I have not
been able to produce a trajectory without the rotation of the protein. The
purpose is simply to improve visualization. Here is what I have come up to
this far:
trajin ../mdcrd.prod01
trajin ../mdcrd.prod02
trajin ../mdcrd.prod03
reference restrt.min01
center :1-237 reference
image :238-244
closest 10 :237 first closestout closestmols.dat outprefix strip
trajout md_complete.mdcrd netcdf nobox
go
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 20 2016 - 13:30:02 PDT
