[gmx-users] grompp line too long error

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Nov 24 05:59:24 CET 2011

Hi [insert name here],

Try putting an empty gurgle.dat in your working directory to see if that is
the problem. If it's not, can you provide additional information regarding
your system and gromacs installation?



On Nov 24, 2011 5:50 AM, "杨伟" <20104227043 at suda.edu.cn> wrote:

I was trying to setup a simulation for membrane in DPPC lipid bilayer
following this tutorial:
I successfully generated the .gro file for the system.But when I tried
grompp to generate the .tpr file,I got the error message shown below:
Program grompp, VERSION 4.5.4
Source code file: string2.c, line: 105

Fatal error:
An input file contains a line longer than 4095 characters, while the buffer
passed to fgets2 has size 4095. The line starts with: '20s'
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
I use strace to trace the sys call of grompp,I have found that grompp
opened gurgle.dat,and ended up reading gurgle.dat as text file,while
gurgle.dat is a binary file,then grompp throwed the fatal error message.
What could be the cause of this problem?

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