Hi all,
is there a "general rule" when I can ignore message as described in
"example_2" and "example_3"? or to successfully complete the protein
preparation should I always not receive any additional information as in
"example_1"?
thank you!
*example_1 *
> mol=loadPDB tetramer_model_9_prepared_AMBER.pdb
Loading PDB file: ./tetramer_model_9_prepared_AMBER.pdb
Matching PDB residue names to LEaP variables.
total atoms in file: 26036
*example_2*
> mol=loadPDB tetramer_model_2_prepared_amber.pdb
Loading PDB file: ./tetramer_model_2_prepared_amber.pdb
Matching PDB residue names to LEaP variables.
total atoms in file: 26034
*Leap added 2 missing atoms according to residue templates:*
* 2 H / lone pairs*
*example_3*
> mol=loadPDB tetramer_model_73_prepared_Amber_ok.pdb
Loading PDB file: ./tetramer_model_73_prepared_Amber_ok.pdb
Matching PDB residue names to LEaP variables.
*Created a new atom named: HE2 within residue: .R<GLU 613>*
*Created a new atom named: HE2 within residue: .R<GLU 1421>*
* total atoms in file: 26036*
* The file contained 2 atoms not in residue templates*
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Received on Tue Aug 14 2018 - 01:30:04 PDT
