On Tue, Feb 21, 2012, leila karami wrote:
>
> Since all atoms, except the ones in scmasks must be identical in their
> starting positions and order in the prmtop, I must do mutation by leap. How
> to do mutation by leap. I couldn't find tutorial about my case.
I don't see that this means you have to use LEaP to do the modifications. A
lot depends on where your structures (of either end point) come from. If it
is really just a G->A swap on one side, and C->T on the other, you can use
the visual in editor in LEaP (or lots of other programs) to make a few
changes, then save the pdb files.
...good luck...dac
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Received on Thu Feb 23 2012 - 19:00:02 PST
