[gmx-users] Incorrect number of parameters
s.neumann08 at gmail.com
Thu May 3 12:08:39 CEST 2012
Dear Gmx Users,
I run the simulation of protein-ligand complex. Then I extracted
coordinates for SMD - I want to pull away my ligand. I used to topology
from pevious simulation, so I removed water, ions from topol.top as the
size box will be changed etc. I placed protein-ligan in new box and
solvated the system. Now I want to proceed to add ions:
grompp -f minim.mdp -c Solv1.gro -p topol1.top -o ions1.tpr
Fatal error: Incorrect number of parameters - found 3, expected 2 or 4 for
Well there is nothing wrong with the topology files as I took them from
previus simulation just removing water and ions. I think that Gromacs does
not read whole file...
Have you ever had such problem?
I will appreciate any help,
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