[gmx-users] charmm36 lipid forcefield error

[Archana Sonawani-Jagtap]

Hi,

I want to perform GPCR simulation in POPC bilayer using Charmm36
forcefield. I have generated the bilayer using CHARMM-GUI. I am following
GPCR tutorial by Justin (modified to GPCR by Anirban).

I want to remove periodicity of the generated bilayer using following
command:

grompp -f EM.mdp -c popc288.gro -p topol_popc.top -o EM.tpr
but I am getting below error:

Program gmx grompp, VERSION 5.1

Source code file:
/usr/local/gromacs-5.1/src/gromacs/gmxpreprocess/gmxcpp.c, line: 312

Fatal error:

Topology include file "charmm36_lipid.ff/forcefield.itp" not found

I have downloaded Charmm36 FF from gromacs user's section and placed it in

/usr/local/gromacs/share/gromacs/top


Please help me to solve the error.

Thanks

Archana Jagtap
PhD student
9960791339