[gmx-users] gromacs error

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


Hello 

 

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 ? 

 

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.

 

Regards

Puneet Kaur

 



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