Dear Amber Users!
I need to edit my pdb structure for further MD simulation.
0- I've successful load my structure in the Xleap and run EDIT mode.
1- I need to find special triplet motif ( e.g Thr-Leu-Gly) in my big protein.
2- In this motiv I want to create new Covalent bond between 2 adjacent
atoms ( e.g N atom in Gly and C atom in Thr) ( distance 1 A) and than
make geometry optimisation of this new motif.
How I could make it in Xleap?
Thanks,
James
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Received on Fri Jan 27 2012 - 10:30:02 PST
