[gmx-users] inputfile character related issue

Mark Abraham mark.j.abraham at gmail.com
Mon Aug 5 22:06:21 CEST 2019


Hi,

We don't have any useful information to go on, but I'll guess that you've
edited the file e.g. on Windows using a not-very-suitable editor and the
line endings are no longer recognizable elsewhere. Try converting the file,
e.g. with the dos2unix utility.

Mark

On Mon, 5 Aug 2019 at 16:13, asha choudhury <ashachoudhury95 at gmail.com>
wrote:

> Dear users,
>           I want to simulate a normal protein-water system by using gromacs
> tutorial. when i run this command, gmx pdb2gmx -f inputfile.pdb -o
> outputfile.gro , i get this error ; An input file contains a line longer
> than 4096 characters, while the buffer passed to fgets2 has size 4096. The
> line starts with: '   . Here i select the opls  folder from working
> directory and TIP4P as water system.
>               I would be appreciated if anyone can help me with this.
> --
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