Hello.
I'm trying to use the available script on a manganese metalloprotein (4ITY). However, when informing the charges of the ion, the script gets an error. When accessing the antechamber_mn1.log it informs that it is: Unrecognized case-sensitive atomic symbol ( MN).
But for other pdb ion complexes that don't start with the letter M (I also tested Mn, Mg and Mo), like Ni, Co, Zn, Hg, the script works normally.
I've already checked the types of atoms in the gaff, and Mn is on the list...
Would you know how to help me?
I'm trying to use the available script on a manganese metalloprotein. However, when informing the charges of the ion, the script informs an error. When accessing the antechamber_mn1.log it informs that it is: Unrecognized case-sensitive atomic symbol ( MN).
But for other pdb ion complexes that don't start with the letter M, like Ni, Co, Zn, Hg, the script works normally.
I've already checked the types of atoms in the gaff, and Mn is on the list...
Would you know how to help me?
Thank you in advance and congratulations for the useful script
Attached are printscreen of the command line and the log file
antechamber_MN1.log
Hello. I'm trying to use the available script on a manganese metalloprotein (4ITY). However, when informing the charges of the ion, the script gets an error. When accessing the antechamber_mn1.log it informs that it is: Unrecognized case-sensitive atomic symbol ( MN). But for other pdb ion complexes that don't start with the letter M (I also tested Mn, Mg and Mo), like Ni, Co, Zn, Hg, the script works normally. I've already checked the types of atoms in the gaff, and Mn is on the list... Would you know how to help me?
I'm trying to use the available script on a manganese metalloprotein. However, when informing the charges of the ion, the script informs an error. When accessing the antechamber_mn1.log it informs that it is: Unrecognized case-sensitive atomic symbol ( MN). But for other pdb ion complexes that don't start with the letter M, like Ni, Co, Zn, Hg, the script works normally. I've already checked the types of atoms in the gaff, and Mn is on the list... Would you know how to help me?
Thank you in advance and congratulations for the useful script
Attached are printscreen of the command line and the log file antechamber_MN1.log