sitiazma wrote:
Hi gromacs users,
does anyone knows why I got this error
from grompp
> grompp -f run.mdp -o dmpc.tpr -c dmpc.pdb -n index.ndx -p topol.top
WARNING 1 [file run.mdp, line unknown]:
Unknown left-hand iconstraint_algorithm in parameter file
Yep. Like the message says, it's because "iconstraint_algorithm" is an
unknown left-hand side in one of the entries of your run.mdp file.
Spelling this line correctly will fix the warning.
Mark
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