[gmx-users] Atomtype HC not found
Giordano Perini
giordano.perini13 at gmail.com
Tue Apr 24 14:40:19 CEST 2018
Dear all,
I've built a Graphene in water topology in order to simulate it. I've
obtained Graphene structure from VMD (Nanotube builder) and I was able to
generate the topology by following the instructions of the tutorial of
Andrea Minoia.
While running the following command:
gmx grompp -f ions.mdp -c 1AKI_solv.gro -p topol.top -o ions.tpr
I recieve as error:
Source code file:
/home/giordano/Downloads/gromacs5.1.1/src/gromacs/gmxpreprocess/toppush.c,
line: 1353
Fatal error:
Atomtype HC not found
Since I am new in Molecular Dynamics simulations, I am asking you to help
me understand where I got it wrong and what can I do to solve this problem.
Giordano Perini,
PhD student, Institute of Physics, Catholic University of Sacred Heart,
Italy, Rome.
More information about the gromacs.org_gmx-users
mailing list