[gmx-users] OWT5 not found in Charmmff

[Yao Yao]

I am running tip5p in charmm force field in gmx. In energy minimization step, it gives an error msg as below. I just simply added it in atomtypes.atp in charmm27.ff, but still it doesn't work. Does anyone know how to solve it?

Many thanks,

Yao

-------------------------------------------------------
> Program grompp, VERSION 4.5-beta3
> Source code file: toppush.c, line: 1166
> 
> Fatal error:
> Atomtype OWT5 not found
> For more information and tips for troubleshooting, please
> check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> ------------------------------------------------------
> 
>>