[gmx-users] number of coordinates in coordinate file does not match topology
acootbrett at yahoo.com
Mon Mar 19 03:02:01 CET 2012
I am practicing the on-line tutorial http://www.nmr.chem.uu.nl/~tsjerk/course/md-tutorial/.
In the step "mdrun -v -deffnm 1LW9-EM-solvated" of "Energy minimization of the solvated system", it says "
Converged to machine precision , but not to the requested precision Fmax < 1". Before this step, all the other steps run fine.
In the step "grompp -v -f pr.mdp -c 1LW9-EM-solvated.gro -p 1LW9.top -o 1LW9-PR.tpr" of "Relaxation of solvent and hydrogen atom positions: Position restrained MD", it says "
Fatal error: number of coordinates in coordinate file (1LW9-EM-solvated.gro, 32748) does not match topology (1LW9.top, 0)"
I am looking forward to getting a reply from you on how to what leads to the error message.
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