[gmx-users] fatal error using grompp

[Mark Abraham]

karan syal wrote:
> hey..i am encountering the following error using grommp :
> 
> 
> ------------------------------
> 
> Program grompp, VERSION 3.3
> Source code file: confio.c, line: 709
> 
> Fatal error:
> Invalid line in protein_water_urea.gro for atom 3698:
>    3.38710   3.38710   3.38710
> -------------------------------------------------------
> 
> the corresponding co-ordinates in gro file are:
> 1170SOL     OW 3696   2.721   3.236   1.878
>  1170SOL    HW1 3697   2.675   3.251   1.966
>  1170SOL    HW2 3698   2.765   3.321   1.848
> 
> 
> ------------------------------------------------------------------------

Read section 5.6.6 of the manual, and consider the first few lines, the 
last line and the number of lines in your .gro file.

Mark