[gmx-users] ERROR :: Atomtype LC3 not found : KALP-15 in water tutorial

Justin Lemkul jalemkul at vt.edu
Tue Oct 8 14:28:56 CEST 2019



On 10/8/19 8:44 AM, Seketoulie Keretsu wrote:
> Dear Expert,
>
> While doing the KALP15 in DPPC tutorial, I came across this error. I have
> tried google search for solutions but couldn't resolve it. Would appreciate
> if you would kindly let me know how to move forward:
> INPUT COMMAND: gmx grompp -f minim_inflategro.mdp -c system_inflated.gro -p
> topol.top -r system_inflated.gro -o system_inflated_em.tpr
>
> OUTPUT ERROR:
> ERROR 1 [file dppc.itp, line 7]:
>    Atomtype LC3 not found

You haven't properly constructed the force field files. Go back to 
http://www.mdtutorials.com/gmx/membrane_protein/02_topology.html and 
work through each step again.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

==================================================



More information about the gromacs.org_gmx-users mailing list