Re: [AMBER] How to generate only CA (alpha) atoms trajectory in cpptraj Amber

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 9 Nov 2021 11:21:53 -0500

Something like this input should work.

parm myparm.parm7
trajin mytraj.nc
# Strip all but CA atoms, write CA-only topology
strip !.CA parmout CA.parm7
# Write CA-only trajectory
trajout CA.nc

Hope this helps,

-Dan

On Tue, Nov 9, 2021 at 11:10 AM Carlos Simmerling
<carlos.simmerling.gmail.com> wrote:
>
> yes, use the "strip" command. check the manual for detailed syntax.
>
> On Tue, Nov 9, 2021 at 11:05 AM Md Fulbabu Sk <phd1701171005.iiti.ac.in>
> wrote:
>
> > Dear AMBER community,
> > I want to generate a new trajectory of only CA atoms from the amber
> > protein-protein solvated trajectory. Is there any such kind of command of
> > flag available in cpptraj?
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Tue Nov 09 2021 - 08:30:03 PST
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