[gmx-users] error in grompp command

ERASTOVA V. valentina.erastova at durham.ac.uk
Wed Jul 2 11:50:33 CEST 2014

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.


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
<CAOEfx3KBphAK_BRP4L4orCp_gSBsuSOHNLUgHX0WyJweWuaN9A at mail.gmail.com<mailto:CAOEfx3KBphAK_BRP4L4orCp_gSBsuSOHNLUgHX0WyJweWuaN9A at mail.gmail.com>>
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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


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