请问Amber提示不存在这种原子类型,请问应该怎么修改呢?就是如果不是HD1那应该对应什么原子类型,我应该去那里找答案呢?谢谢
ramp=loadpdb N559proton.pdb
Loading PDB file: ./N559proton.pdb
Matching PDB residue names to LEaP variables.
Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET.
Mapped residue ALA, term: Terminal/last, seq. number: 288 to: CALA.
Mapped residue MET, term: Terminal/beginning, seq. number: 289 to: NMET.
Mapped residue ALA, term: Terminal/last, seq. number: 577 to: CALA.
Created a new atom named: HD1 within residue: .R<HIE 28>
Created a new atom named: HD2 within residue: .R<ASP 96>
Created a new atom named: HD1 within residue: .R<HIE 111>
Created a new atom named: HD2 within residue: .R<ASP 117>
Created a new atom named: HD1 within residue: .R<HIE 146>
Created a new atom named: HD2 within residue: .R<ASP 170>
Created a new atom named: HD1 within residue: .R<HIE 186>
Created a new atom named: HD1 within residue: .R<HIE 243>
Created a new atom named: HD1 within residue: .R<HIE 273>
Created a new atom named: HD1 within residue: .R<HIE 317>
Created a new atom named: HD1 within residue: .R<HIE 400>
Created a new atom named: HD2 within residue: .R<ASP 406>
Created a new atom named: HD1 within residue: .R<HIE 435>
Created a new atom named: HD2 within residue: .R<ASP 459>
Created a new atom named: HD1 within residue: .R<HIE 475>
Created a new atom named: HE2 within residue: .R<GLU 483>
Created a new atom named: HD2 within residue: .R<ASP 499>
Created a new atom named: HD1 within residue: .R<HIE 532>
total atoms in file: 8335
Leap added 3 missing atoms according to residue templates:
3 H / lone pairs
The file contained 18 atoms not in residue templates