[gmx-users] error in grompp command

[RINU KHATTRI]

hello gromacs users
 i used 43a1 force field(Gromacs 4.5.7) in the atomtype.atp file in the
place of CA CA2+ is present in ffnonbonded.itp file CA and CA2+ both are
present according to tutorial i have been followed  all the step
still em.tpr not formed
atomtype CA not found


On Wed, Jul 2, 2014 at 3:19 PM, ERASTOVA V. <valentina.erastova at durham.ac.uk
> wrote:

> Hi Rinu,
>
> See what forcefield files you include in your topology, then go to the
> force field folders and check if those indeed have that atom types.
> You must indeed be missing the CA type. Likely, you just forgot to include
> some topology file.
>
> V
>
>
>
>
> On 2 Jul 2014, at 10:23, gromacs.org_gmx-users-request at maillist.sys.kth.se
> <mailto:gromacs.org_gmx-users-request at maillist.sys.kth.se> wrote:
>
>
> ------------------------------
>
> Message: 2
> Date: Wed, 2 Jul 2014 12:26:07 +0530
> From: RINU KHATTRI <nickname.mittu at gmail.com<mailto:
> nickname.mittu at gmail.com>>
> To: gmx-users at gromacs.org<mailto:gmx-users at gromacs.org>
> Subject: [gmx-users] error in grompp command
> Message-ID:
> <CAOEfx3KBphAK_BRP4L4orCp_gSBsuSOHNLUgHX0WyJweWuaN9A at mail.gmail.com
> <mailto:CAOEfx3KBphAK_BRP4L4orCp_gSBsuSOHNLUgHX0WyJweWuaN9A at mail.gmail.com
> >>
> Content-Type: text/plain; charset=UTF-8
>
> hello gromacs
> i an working on protein ligand complex with lipid membrane (popc)
>
> grompp -f minim.mdp -c popc128.gro -p topol_popc.top -o em.tpr -maxwarn -1
>
> after this fatal error atomtypes CA not found
> and only md.oonly mdout is formed
> kindly help
>
>
> ------------------------------
>
> --
> 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.
>