Hi all,
In my target protein (1-338) two residues (286,287) were missing.I added
them using modeller and trying to perform 1ns MD on it. But the problem was
after heating, during equilibration state helix of protein from 286-338 is
getting converted to loop, which results in increase of RMSD as time
proceeds. I tried to perform the equilibration and further production run by
applying constraint from 286-338, as these portion is away from active site.
Is this correct way, or can i do it in better way.
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Received on Wed Oct 06 2010 - 19:30:03 PDT
