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

[Mark Abraham]

drugdesign wrote:
> 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?

> -------------------------------------------------------
> Program grompp, VERSION 4.0.2
> Source code file: toppush.c, line: 897
> 
> Fatal error:
> Atomtype OWT4 not found
> -------------------------------------------------------

IIRC, there was some issue with an early GROMACS 4.0.x and TIP4P. Search 
the archives for more information. To solve, I suggest you update.

Mark