12 December 2018 0 10K Report

I follow the instructions on ..........

GROMACS Tutorial

Protein-Ligand Complex

Justin A. Lemkul, Ph.D. Virginia Tech Department of Biochemistry 

http://www.mdtutorials.com/gmx/complex/index.html

MY problem on this stage

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

Fatal error: number of coordinates in coordinate file (solv.gro, 72393) does not match topology (topol.top, 6774) For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors

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