[gmx-users] Error while running grompp

[Nathan C. Rockwell]

look at the .itp file that is generating the warnings, and figure out what's
wrong with it. There are missing parameters that are causing the error.
Perhaps this is a .itp file for a different force field than you are trying
to use, or perhaps you need to add some parameters manually.

nr


On 6/6/06 11:36 AM, "Rahul B Kasat" <rkasat at ecn.purdue.edu> wrote:

> Hi
> 
> I have 403 atoms in my system.
> 
> While running grompp command, I get following error:
> 
> ************************************************************
> Generated 1284 of the 1485 non-bonded parameter combinations
> WARNING 1 [file "DRGGMX.ITP", line 18]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 2 [file "DRGGMX.ITP", line 21]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 3 [file "DRGGMX.ITP", line 22]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 4 [file "DRGGMX.ITP", line 23]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 5 [file "DRGGMX.ITP", line 24]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 6 [file "DRGGMX.ITP", line 25]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 7 [file "DRGGMX.ITP", line 26]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 8 [file "DRGGMX.ITP", line 27]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 9 [file "DRGGMX.ITP", line 28]:
>    Too few parameters on line (source file toppush.c, line 731)
> WARNING 10 [file "DRGGMX.ITP", line 29]:
>    Too few parameters on line (source file toppush.c, line 731)
> Cleaning up temporary file gromppiktFQd
> Fatal error: Too many warnings, grompp terminated
> *****************************************************************
> 
> Any suggestion on how to get rid of this?
> 
> Thanks,
> 
> - Rahul
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