[gmx-users] Invalid line in coordinate file (grompp tool)

Andrew Bostick andrew.bostick1 at gmail.com
Wed Oct 2 14:21:13 CEST 2013


Dear users,

I have used grompp command for minimising my system (protein and
membrane). I am getting the error:

-------------------------------------------------------
Program grompp, VERSION 4.5.1
Source code file: confio.c, line: 744

Fatal error:
Invalid line in system.gro for atom 11380:
   6.98200   7.63300   7.36400

For more information, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
First and end lines of my gro file are as follows:

Giving Russians Opium May Alter Current Situation
11380
   1DMPC    C1    1   4.752   4.493   5.267
   1DMPC    C2    2   4.770   4.549   5.409
    .
    .
    .
    .
    .
 1834SOL     OW11378   2.802   5.473   1.849
 1834SOL    HW111379   2.797   5.377   1.844
 1834SOL    HW211380   2.812   5.501   1.758
   6.98200   7.63300   7.36400
------------------------------------------------------

Number in second line (11380) is equal to number of atoms in gro file
(11380)?

How to fix this issue?

Kindly make some light on this.

Thanks and regards



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