[gmx-users] Fatal error: Atomtype CA not found

Puneet puneet.kaur at adibackoffice.net
Thu Mar 2 11:13:37 CET 2017



I am performing Membrane protein simulation by using Bevan Tutorial "KALP15
in DPPC" with example given in tutorial. I have made steps upto "To use
parameters in lipid.itp, we will have to make some changes to our
pre-packaged gromos53a6.ff/forcefield.itp. Make a new directory in your
working directory called "gromos53a6_lipid.ff" and copy the following files
from gromos53a6.ff into it" and kept all the files in gromos53a6_lipid.ff
directory as mention under this section. I have also made all the required
changes in "ffnonbonded.itp & topol.top" as mention in the tutorial and
taken minim.mdp & topol_dppc.top files from link given in the tutorial. But
on step "Orient the protein and membrane" when I run 


Command: grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr

I got  Fatal error: Atomtype CA not found

Can u please suggest me how to resolve this error.

Thanks in Advance!



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