[gmx-users] how to generate a *.mdp file?
Maria Sabaye Moghaddam
msabaye at gibbs.med.utoronto.ca
Thu Sep 9 16:43:30 CEST 2004
I am very new with gromacs. I am at the initial stages of getting
a trihelix in water simulation going. I have generated the *.gro and
*.top files, but I don't know how to generate an *.mdp file. I copied the
one from the "Getting Started" section, but I am getting error messages
filename_A.itp : No such file or directory
filename_B.itp : " " " " "
Fatal error: No such moleculetype Protein_A
Can anyone help me with this please?
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