[AMBER] dist restraint

From: e p <epepgene1.gmail.com>
Date: Sun, 3 Jul 2011 03:29:57 -0700

Dear amber users
I want to put a ligand in protein but I dont want to limit the vibrations.
I want to compare vibrations of atoms in active site in native enzyme and
I can use rk2=5 or rk2=50 but I dont know which one is better?
Are the dist restraint in residues of active site in atoms that dont role in
mechanism or the restraint be in residues that dont in active site?
i dont want that ligand rotate or exit.
what is rotation restraint?is this help me or dist restraint is enough?
please offer me
thanks for your attention.
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Received on Sun Jul 03 2011 - 04:00:03 PDT
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