you can use cpptraj with keyword "model"
parm my.pdb
trajin my.pdb
trajin another.pdb
trajout out.pdb model
I suggest to upgradet to AmberTools16
and check manual: http://ambermd.org/doc12/Amber16.pdf (page 561, trajout
command)
Hai
On Tue, Aug 16, 2016 at 4:38 PM, Erik Davis <erikd.g.clemson.edu> wrote:
> Hello
>
> I need some help combining single structure NMR pdb files into an ensemble
> for ensemble analysis I have looked through the manual, but haven't found
> anything. Does amber14 have this capability? Can anyone direct me towards a
> quick solution.
>
> Regards,
>
> --
> Erik V. Davis
> Clemson University
>
> 攀登山脉
> Pāndēng shānmài
>
> "Only one who attempts the absurd can achieve the impossible"
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Received on Tue Aug 16 2016 - 14:00:03 PDT
