Hello,
First time AMBER user here, so please go easy on me! I am looking to
perform an MD sim of a protein with a small molecule inhibitor (PDB: 1WM1).
I believe I have prepared both the ligand and receptor files appropriately,
but I am stumped as to why when I generate the complex using TLEAP that the
ligand appears to be left out of the structure according to the PDB output.
Could anyone possibly have a look at my files and tell me what I am doing
wrong? It is probably something simple...
setup.sh contains the commands for building the files.
The files can be found on my webspace:
http://users.tpg.com.au/~adslp5v9/1WM1_md_template.zip (I tried to attach
it to the email but it didn't seem to work).
Kind regards,
Sebastian Petrik
Griffith University
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Received on Mon Apr 08 2013 - 19:00:02 PDT
