On Mon, Aug 30, 2010, Guoxiong Su wrote:
>
> I am trying to solvate my molecule in a water spherocylinder in Leap. After
> that I can run MD simulation about the system using Amber. I can solvate it
> using VMD and some Tcl scripts. However, I don't know how to do it in LEaP.
You can't do this easily in LEaP, so it's good you know how to do it in VMD.
Have VMD output a pdb file, and use the loadPdb command in LEaP. Be aware,
however, that you will have a molecules in the pdb, surrounded by vacuum.
...hope this helps....dac
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Received on Mon Aug 30 2010 - 15:00:03 PDT
