Dear AMBER community,
I'm wondering is there an elegant way of loading an N number of
trajectories in cpptraj and getting an output of analysis for each of
them?
If I load N of them I get results of a combined length trajectory. I
don't want that now.
I could hypothetically cut the results at the "right spot" in order to
correspond to the trajectory 1 or 2 or N. But then again I could also
run the N number of scripts for cpptraj and get them anyway. A tedious
job I would like to avoid.
But how about loading multiple of trajectories and getting multiple
(corresponding) outputs?
How could I do that in cpptraj script:
parm protein.parm7
trajin protein1.nc
trajin protein2.nc
...
trajin proteinN.nc
strip 1-2,4-100,NA,CL,WAT outprefix STRIP
autoimage
<anything that cpptraj does or can do>
trajout ? #for the corresponding trajectory N"
# N number of outputs each for the corresponding trajecotry N"
Thank you for the help.
In the meanwhile I will try to search for the solution for this.
Worst case scenario: a little bit of bash scripting and some input
copy-paste-modify :)
Yours,
Luka
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 16 2018 - 00:30:03 PDT
