I have been trying several methods to parameterize the acetyl Coa ligand using both the web-based i.e charmm gui, playmolecule, cgenff method and antechamber method of Amber. The ligand parameterizations fail due to unrecognized atom types. Due to this, I am not able to build the system. Can anyone help me with this?
Zhao Zixian
嘿朋友，我之前也遇到过这个问题，一般情况是配体的电荷还有原子名称标记错误了。电荷问题可以用高斯（Gauss）来解决，原子名称则需要你看说明书了。
Hey guys, I've had this problem before, and it's usually the charge of the ligands and the atom names that are mislabeled. The charge problem can be solved in Gauss, and the atom name needs you to look at the manual.
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Simran Modi
Can you please provide me the link from where I can check the atom names?
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