Dear Amber users,
I need to perform an energy minimization and to extract the Hessian matrix
of a protein from the Nmode program.
The problem is that this protein contains 994 residues, which is much to
high to work with Nmode !
If I consider only the backbone atoms, it reduces my system to ~2500 atoms.
> But is it possible with amber, as tleap re-builds the residues ? i don't
want to froze other atoms, but to work without them.
Marie
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Received on Wed Jan 13 2010 - 12:30:02 PST
