Dear all
Hello
When I was loading a pdb file with the amino acid sequence of two strands of mvggvv I got in xleap that file contains 2 atoms not in the residue template. I am using amber9. When I examined my molecule I found out there are two sulfur atoms from the methionine amino acid. Can anyone help me in fixing my problem?
Loading PDB file: ./mvggvv.pdb
Created a new atom named: OT within residue: .R<CVAL 6>
Added missing heavy atom: .R<CVAL 6>.A<OXT 17>
Created a new atom named: OT within residue: .R<CVAL 12>
Added missing heavy atom: .R<CVAL 12>.A<OXT 17>
total atoms in file: 76
Leap added 90 missing atoms according to residue templates:
2 Heavy
88 H / lone pairs
The file contained 2 atoms not in residue templates
I thank you in advance
Workalemahu
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Received on Sun May 24 2009 - 01:13:20 PDT
