Hi
I want to calculate Molecular Dynamics with Amber software.
I created LIG.prmtop and LIG.inpcrd, successfully.
then, I created these files for protein, too.
when I checked, all of the test be ok.
for next step, I made Complex(protein_LIG). when I want to run this line:
complex = loadpdb complex.pdb
I have error while I used atom type belong LIG.frcmod for LIG in complex.pdb
and atom labels in the pdb file are the same labels used in my generated
mol2 file for ligand.
Can you help me?
I attached file about error this mail.
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Received on Tue Feb 03 2015 - 22:30:02 PST
