[gmx-users] error running position restraints

Mark Abraham mark.abraham at anu.edu.au
Wed Jul 4 02:20:43 CEST 2007

> hi all,
> i have installed Gromacs and tried running simulation using explicit
> solvent.i did pdb2gmx to convert my pdb file to gromacs coordinate file
> and then editconf and genbox to add water molecules.
> next i did minimization it run well but when i tried to run position
> restraints i have to face an error:
> My commnd:
> grompp -f gr15-42_wat_md_prest.mdp -c 2bp_wat_emin_nic.gro -p 2bp_nic.top
> -o 2bp_wat_md_prest_nic.tpr

I guess that you've managled your .mdp file format. Did you convert from
unix to DOS line endings?


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