Date: Wed Jan 18 2006 - 15:02:26 CST
I want to fix the backbone position for a solvated peptide, everything else
should be the same as a normal simulation, so the peptide won't
unfold/translate in the box, but side chains are free to move. Is the best way
to use fixedAtoms on the C-alpha's?
or should I use some harmonic restraint?
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