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
> ------------------------------------------------------
>
>>
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