[gmx-users] Space between the columns in the topology file of Gromacs

lan hoa Trinh trinhlanhoa at gmail.com
Fri Jun 16 00:40:19 CEST 2017


Thank you,
Best,

*Lan Hoa*

2017-06-15 17:02 GMT-05:00 Mark Abraham <mark.j.abraham at gmail.com>:

> Hi,
>
> Those are simply fields separated by whitespace. Columns not relevant.
>
> Mark
>
> On Thu, 15 Jun 2017 22:10 lan hoa Trinh <trinhlanhoa at gmail.com> wrote:
>
> > Dear Gromacs society,
> > I wonder if there is the default for the space between the columns in the
> > topology file, for example:
> > [ bonds ]
> > ;ai     aj      func    r0(nm)  Kb
> >         1        2     1 3.805916447e-01 2.000000000e+04
> >         2        3     1 3.788218579e-01 2.000000000e+04
> >         3        4     1 3.790369375e-01 2.000000000e+04
> >
> > Should it be fixed that ai, aj  at the fix positions, i.e. 8 spaces of
> tab
> > size for example?
> > I am looking forward to hearing from you.
> > Best regards,
> > *Lan Hoa*
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