Hi,
You need to also specify a topology file. So just add 'parm
result.pdb' before 'trajin result.pdb'. Or just do it from the command
line:
cpptraj -p result.pdb -y result.pdb -x result.nc
Hope this helps,
-Dan
On Tue, Oct 17, 2023 at 1:08 PM Jing Qu via AMBER <amber.ambermd.org> wrote:
>
> Hi all,
>
> Does anyone know how to convert a PDB trajectory to a NetCDF trajectory
> format? I have seen the previous mailing list, say I could use:
> trajin result.pdb
> trajout result.nc netcdf
>
> After I did that, it showed:
> Error: No topology selected or no topologies present.
> 1 errors encountered reading input.
>
> But I remembered it is said that we don't need to provide the topologies in
> another answer. And my pdb trajectory could be opened by VMD, so the
> topology should be present.
>
> Best,
> Jing
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Received on Tue Oct 17 2023 - 15:00:02 PDT
