[gmx-users] Regarding Error "Atomtype OS not found"
Mark Abraham
Mark.Abraham at anu.edu.au
Tue Apr 13 06:13:19 CEST 2010
On 13/04/2010 1:49 PM, Jignesh Patel wrote:
> Hello,
>
> while I am running grompp command, I am getting following error.
>
> Opening library file /usr/local/gromacs/share/gromacs/top/ff_dum.itp
> Generated 837 of the 2346 non-bonded parameter combinations
> -------------------------------------------------------
> Program grompp, VERSION 4.0.5
> Source code file: toppush.c, line: 947
> Fatal error:
> Atomtype OS not found
>
> Can anyone help me to solve this problem?
Yep, they can point out that atom type OS is not found. Since at this
stage only you know about your topology and system preparation, and more
particularly why you're trying to #include "ff_dum.itp", only you can
reason why. Perhaps sharing some more detail will help...
Mark
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