[gmx-users] fatal erroe in prorein-ligand comlex

Yaser Hosseini yaser.hosseini.biologist at gmail.com
Tue Dec 16 23:22:35 CET 2014


hi gromacs users

i got error in step four in protein-ligand complex how can i fix it:

Fatal error:
number of coordinates in coordinate file (solv.gro, 144131)
             does not match topology (topol.top, 144171)

when i want to ran this:

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

i add my ligand drg.gro in protein_processed.gro.

beside i cant find conf.gro that you say in this toturial:

http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex_old/02_topology.html

thank you .


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