[gmx-users] Character issues

Kelsy Yuan kelsy.yuan at gmail.com
Thu Dec 8 19:52:37 CET 2016


Hi Mark,

Thanks for your quick reply. I tried to use Gromacs 5.0.6 to grompp, it did
give me a little bit more information about the error, without mentioning
"20s". However, I cannot find the exact position since I don't have that
line in my input file. There is not much information about it on the
website nor manual. I wonder is it possible to get some further
explanations? Thank you in advance.

-------------------------------------------------------
Program grompp, VERSION 5.0.6
Source code file:
/usr/local/src/gromacs-5.0.6/src/gromacs/utility/cstringutil.c, line: 112

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: '1     AL1     1
  UNL     A2'      ay1
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------


Sincerely,
Kelsy

On 2 December 2016 at 14:52, Mark Abraham <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> What makes you think "_" is more relevant than "20s"?
>
> You could well have a better experience if you were not using a version of
> software that is five years old.
>
> Matk
>
> On Fri, 2 Dec 2016 22:45 Kelsy Yuan <kelsy.yuan at gmail.com> wrote:
>
> > Hi,
> >
> > I am trying to do an energy minimization of my system that contains
> stearic
> > acid molecules and an ionic surface. Every time I grompp I get the
> > following error massage:
> >
> > Program grompp_s_mpi, VERSION 4.5.5
> > 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 checked every single input file as well as the force filed directory,
> > none of them contains "_" when I viewed them on different text editors. I
> > wonder does anyone know another solution or possible reasons for this
> > issue?
> >
> > Thank you in advance,
> > Kelsy
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