Dear Amber Users,
I have successfully run a ligand minimization using sander. Thereby I was
using a solvatebox that i have created before with tleap.
With ambpdb I created the pdb-file and everything is looking nice.
Now my question:
What is the best way in order to get rid of the solvatebox again. Does a
command for this exist?
I couldn't find any flag for this in ambpdb.
I have many ligands to minimize, so I want to use a script.
Thank you very much for your answers,
best regards
Julian
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Received on Wed Jun 01 2011 - 12:30:02 PDT
