[gmx-users] .coordinate(gro) file

[Tasneem Kausar]

Fitsiou already suggested you to change the number of atoms at top  second
line of the gro file.

On Mon, Nov 6, 2017 at 10:22 AM, rose rahmani <rose.rhmn93 at gmail.com> wrote:

> Hi dear
>
> yes,i did
>
> On Mon, Nov 6, 2017 at 12:07 AM, Fitsiou, Eleni <e.fitsiou at lancaster.ac.uk
> >
> wrote:
>
> > Hi, did you change the total number of atoms in your file ?
> > (the second line at the top of the gro file?)
> >
> > Best, Eleni
> > > On 5 Nov 2017, at 20:33, rose rahmani <rose.rhmn93 at gmail.com> wrote:
> > >
> > > Hi
> > >
> > > I have structure.gro file
> > >
> > > 32
> > > .
> > > .
> > > .
> > >
> > >   0ZnS    S29   29   0.000   0.191   2.029
> > >    0ZnS    S30   30   0.000   0.574   2.029
> > >    0ZnS   Zn31   31   0.000   0.000   2.164
> > >    0ZnS   Zn32   32   0.000   0.383   2.164
> > >   0.00000   0.00000   0.00000
> > >
> > > and AA.gro
> > >
> > > PRODRG COORDS
> > >   12
> > >    1PDB  O        1   0.147   2.267   0.468
> > >    1PDB  C        2   0.182   2.373   0.415
> > >    1PDB  OC       3   0.151   2.486   0.453
> > >    1PDB  CA       4   0.318   2.368   0.351
> > >    1PDB  N        5   0.390   2.383   0.475
> > >    1PDB  H2       6   0.368   2.471   0.516
> > >    1PDB  H3       7   0.488   2.379   0.457
> > >    1PDB  H1       8   0.364   2.309   0.538
> > >    1PDB  CB       9   0.343   2.234   0.282
> > >    1PDB  CG2     10   0.255   2.218   0.157
> > >    1PDB  OG1     11   0.480   2.228   0.243
> > >    1PDB  HG1     12   0.499   2.141   0.197
> > >   0.53100   0.53100   0.53100
> > > and i want to make one coordinate file for both of them(like
> > > protein-ligand tutorial)
> > >
> > > but when i copy structure.gro to the end of AA.gro to
> > make>>>complex.gro, i
> > > cant check it in any viewer like VMD,it seeems that complex.gro is not
> > > correctly modified,could you please tell me what is wrong?!
> > >
> > > Thank you
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at http://www.gromacs.org/
> > Support/Mailing_Lists/GMX-Users_List before posting!
> > >
> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > >
> > > * For (un)subscribe requests visit
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at http://www.gromacs.org/
> > Support/Mailing_Lists/GMX-Users_List before posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>