[gmx-users] Atomtype OWT3 not found during EM step
Juganta K. Roy
juganta280 at yahoo.com
Wed Jul 3 18:41:15 CEST 2013
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.
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