[gmx-users] Simulating a peptide

raja raja_28 at fastmail.us
Wed Feb 15 14:00:25 CET 2006

Dear all,
      I want to simulate a peptide of 10 residues length small part of a
      protein of my interest), to see its secondary structure variation
      upon mutation. Is it enough to simulate that 10 residues  alone to
      see the change or is it mandatory to put entire protein and to
      seek for posible way to constraint other uninterested region.

With Thanks !


  raja_28 at fastmail.us

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