[gmx-users] about new atom type,David!

[nanyu101]

Hi, 
  David,I have created a ffgmx.rtp file and added a new atom type in ffgmx.atp file.The ffgmx.rtp file is in current directory and ffgmx.atp file is in common directory(share/top).When I ran pdb2gmx,the system told me as below:

Using ffgmx force field
Opening library file /usr/local/gromacs/share/top/ffgmx.atp
Atomtype 52
Reading residue database... (ffgmx)
Opening library file ffgmx.rtp
Using default value - not generating all possible dihedrals
Using default value - excluding 3 bonded neighbors
Residue 3Fatal error: Atom type OP (residue PPF) not found in atomtype database

If ffgmx.rtp and ffgmx.atp are all in current directory, the system told me below: 

Using ffgmx force field
Opening library file ffgmx.atp

These are the puzzle I have met.I hope you can resolve my puzzles.Thanks a lot.

Best,
Xianhui
 
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