[gmx-users] grompp error
Mark Abraham
mark.j.abraham at gmail.com
Tue Jun 18 10:36:08 CEST 2013
GROMACS is not yet magic. You used an atom type not found in your force
field. Over to you. :-)
Mark
On Jun 18, 2013 5:23 AM, "Hasni Arsad" <hasni.arsad at gmail.com> wrote:
> Hi,
>
> I got this error massage when execute this command- grompp -f em.mdp -c
> solvated.pdb -p topol.top
>
>
>
> Program grompp, VERSION 4.6.2
> Source code file: ..../gromacs-4.6.2/src/kernel/toppush.c, line: 1336
>
> Fatal error:
> Atomtype NPYL not found
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
>
> comment please!!!!!
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