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 - 06:00:11 PDT
