Hi,
You need to use the 'include_ep' keyword when writing your PDB file, e.g.
trajin mytraj.nc
trajout mypdb.pdb include_ep
-Dan
On Mon, Mar 18, 2019 at 8:41 AM bjyx20090941 <bjyx20090941.163.com> wrote:
>
> Dear amber:
> I used TIP4PFB force field to run explicit water in MD simulation with Amber16. We all konw that the TIP4PFB as same as TIP4P model has every 4 atoms coordinates of H2O in water.mdcrd file. While when I used cpptraj module generating: trajin *.mdcrd 1 1 1 trajout *.pdb
> I found the generating *.pdb file just have 3 atoms coordinates like O H1 H2, which is differ from the TIP4PFB model file with O H1 H2 EP 4 atoms coordinates. But I want the pdb file with4 atoms coordinates. So is there any command i do not kown for this in capptraj module, just not use python or fortran by myself.
>
>
> I am hope hear from you!
>
>
> Best Wishes
>
>
> Fangjia Fu
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Received on Mon Mar 18 2019 - 06:00:15 PDT
