[gmx-users] Error in grompp for protein-ligand tutorial

José Adriano da Silva jose.adriano.ds at gmail.com
Tue Jan 28 00:05:19 CET 2014

 I am new to Gromacs, then follow the tutorial protein-ligand, decided to
adapt the procedure for my protein (acetylcholinesterase) and my binder. The
procedure is this (protein-ligand complex): 




Well, I switched to facilitate the name of my protein and my binder by the
names used in the tutorial. The problem occurs when I do the command: 


grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr



The following error occurs: 


Fatal error: 

Molecule type 'Protein_chain_A' contains no atoms 



I do not know how I can fix .... so please help me. 



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