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heme is not found after performing the pgn command for reduced heme proteins

Asked by Eze

 I am working with a reduced heme protein. But the heme is chopped off after performing the pgn command to create the psf and pdb files, after removing water and salt from the pdb file downloaded from the pdb data bank. I am suspecting I do not have the right topology file for the reduced heme protein. Please I need help. I want the heme to be retained in the protein.
Thanks
Eze

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Eze (eeobasi) said : 		#1

The Molecular Dynamics software I use is NAMD. I am working with a reduced heme protein. But the heme is chopped off, leaving behind the apoprotein, after performing the pgn command to create the psf and pdb files. I am suspecting I do not have the right topology file for the reduced heme protein. Please I need help. I want the heme to be retained in the protein.
Thanks
Eze

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Launchpad Janitor (janitor) said : 		#2

This question was expired because it remained in the 'Open' state without activity for the last 15 days.