On Sat, Jun 23, 2012, Saaz Sakrikar wrote:
> I made the ligand prepin and frcmod files, and loaded the ligand and
> receptor onto leap.
>
> Now I have been told to use "complex = combine {ligand receptor}".
This is rarely a good strategy. I think what most people do is this: create
a PDB file with both the ligand and the receptor in the proper positions.
Put a TER card between the receptor and the ligand. Then use loadPdb to
load the entire system into LEaP.
...dac
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Received on Sat Jun 23 2012 - 07:00:04 PDT
