I am new to Gromacs, then follow the tutorial protein-ligand, decided to
adapt the procedure for my protein (acetylcholinesterase) and my binder. The
procedure is this (protein-ligand complex):
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/comp
lex/index.html
Apologies friends I posted this email by mistake
2014-01-28 Mark Abraham mark.j.abra...@gmail.com
That's extremely strange. There's a bug there to fix (48 cannot be correct
in both places it is used). Albert, can you please upload your .tpr to a
new issue at http://redmine.gromacs.org?
