[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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