Good morning,
I am new using amber14 with tools of amber15 and I have a protein that contains a heme group.
I want to simulate it using Amber14.
How can I get heme parameters and how do I load them on tleap?
- I have to separate the HETATM of HEME of the main structures of the protein, haven't I?
Then, I supposed that I have to use antechamber to convert the pdb file of HEME to mol2 and obtain the frcmod parameters with parmchk2?
However, I tried and this doesn't work.
I am doing all right?
Anna
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Received on Tue Apr 19 2016 - 04:30:03 PDT
