On Wed, Apr 13, 2011, fancy2012 wrote:
> The commands I give to
> tleap were just common commands, like loadmol2, loadamberparams and
> saveamberparm and savepdb. For the small molecule, I only load the
> file and extra parameters
What is "the file"? What are the "extra parameters"? If you are not willing
to tell us what you really did, you will have to debug it yourself. What you
describe is not the usual behavior, so no one will be able to help without
details. Please read again what I said in my previous email:
> >Leap only adds atoms to a unit if they are present in
> >the library file but missing in the input pdb (or similar) file.
....dac
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Received on Wed Apr 13 2011 - 05:00:03 PDT
