[gmx-users] atomtype OWT4 not found but OWT3 and OWT5 is ok in amber03 force field....how is that possible?

drugdesign drugdesign at yandex.ru
Sat Feb 28 17:44:58 CET 2009

I am trying to use amber03 force field for GROMACS with TIP4P water molecules. But I've got an error about OWT4 atom type.
The strange is that with TIP3P and TIP5P it works ok. Some time ago it worked ok with TIP4P too...maybe I've changed sometheing but now I get  the log listed below...
How is that possible?

Best regards,

Ignoring obsolete mdp entry 'title'
Ignoring obsolete mdp entry 'cpp'

Back Off! I just backed up mdout.mdp to ./#mdout.mdp.9#
checking input for internal consistency...
processing topology...
Opening library file /usr/local/gromacs/share/top/ffamber03.itp
Opening library file /usr/local/gromacs/share/top/ffamber03nb.itp
Opening library file /usr/local/gromacs/share/top/ffamber03bon.itp
Generated 2701 of the 2701 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 2701 of the 2701 1-4 parameter combinations

Program grompp, VERSION 4.0.2
Source code file: toppush.c, line: 897

Fatal error:
Atomtype OWT4 not found

"Three Little Fonzies" (Pulp Fiction)

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