On 24/11/2011 3:45 PM, 杨伟 wrote:
I was trying to setup a simulation for membrane in DPPC lipid bilayer
following this tutorial:
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/index.html
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?
I would be more suspicious of your input files than anything else. Make
sure you edit them with a sensible text editor that uses useful line
endings. Can you use grompp successfully on a simple test case with
files you haven't edited?
Mark
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