[gmx-users] gromacs error

Puneet puneet.kaur at adibackoffice.net
Wed Dec 9 13:34:14 CET 2015



I am doing Protein-Ligand simulation and I face following error while
running command "grompp -f em_real.mdp -c solv_ions.gro -p topol.top -o
em.tpr". Kindly assist me how can I rectify error ? 




Program grompp, version 3.3.3

source code file: toppush.c, line: 1396


Fatal error:

No such moleculetype NA


Please reply as soon as possible its really urgent for me.



Puneet Kaur


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