[gmx-users] Atomtype OWT3 not found during EM step

[Juganta K. Roy]

Dear all,

I am a new user of GOMACS. My system contains Polymer and Water. I used gromos53a6 force field and spc water model, it ran nicely.

But now I want to use TIP3P water model with the same force field (gromos53a6), in that case, I am getting a error message from the 'grompp' during energy minimization step - "Fatal error: Atomtype OWT3 not found".

From GMX users Forum I got some information to resolve this problem. Such that, I added OWT3 at the bottom of the  .atp file of the related force field and also edited the nonbonded.itp file. But I couldn't get rid of such kind of error.

Would you please give me suggestion to fix it?

Thanks in advance for the help.


Jugnata