What version of GROMACS are you using? On 11/2/18 5:45 PM, Neena Susan Eappen wrote: > Hello GROMACS users, > > > I am a first time user of GROMACS. According to this excellent tutorial > (http://www.mdtutorials.com/gmx/lysozyme/01_pdb2gmx.html), I downloaded the > PDB file for lyzozyme, then removed water molecules, typed in the following > command on CygwinShell (with GROMACS activated). > > $ gmx pdb2gmx -f 1AKI_clean.pdb -o 1AKI_processed.gro -water spce > > However, I get an error saying: > > In command line option -f, file 1AKI_clean.pdb does not exit or is not > accessible. > > Please advice where am I going wrong. Any insight would be appreciated. > > Many thanks, > > Neena Eappen > Graduate Student > Jockusch Lab<http://www.chem.utoronto.ca/wp/jockusch/>, U of T -- Gromacs Users mailing list
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