did you equilibrate the added portion before letting the rest move?
On Wed, Oct 6, 2010 at 9:56 PM, shweta <swdata7.gmail.com> wrote:
> 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 Thu Oct 07 2010 - 04:00:02 PDT
