应用Amber14SB力场失败

milk_q

mol=loadpdb PY20-yasara.pdb
Loading PoB file:./Py20-yasara.pdb
created a new atom named: N1 withinresidue:.R<CTYR 20>
CreatedC2 within residue:.R<CTYR 20>a new atom named:
CreatedH22 within residue:a new atom named:.R<CTYR 20>H23 within residue:2
creatednew atom named:.R<CTYR 20>2
Createdc3 within residue:new atom named:.R<CTYR 20>new atom named:03 within residue:2created.R<CTYR 20>C4 within residue:Created2new atom named:.R<CTYR 20>公H43 within residue:reatednew atom named:.R<CTYR 20>C5 within residue:6new atom named:R<CTYR 20>createdcreated05 within residue:9.R<CTYR 20>new atom named:C6 within residue:.R<CTYR 20>reatecnew atom named:己C7 within residue:.R<CTYR 20>creatednew atom named:Created8new atom named:H73 within residue:.R<CTYR 20>0H72 within residue:Created.R<CTYR 20>new atom named:207 within residue:.R<CTYR 20>Creatednew atom named:日Created.R<CTYR 20>C8 within residue:new atom named:H82 within residue:.R<CTYR 20>Createda new atom named:.R<CTYR 20>Creatednew atom named:H83 within residue:a?C9 within residue:R<CTYR 20>Creatednew atom named:a.R<CTYR 20>09 within residue:Creatednew atom named:aCreatedC10 within residue:.R<CTYR 2>new atom named:.R<CTYR 20>C11 within residue:Created2new atom named:.R<CTYR 20>Created0new atom named:H112 within residue:.R<CTYR 20>3011 within residue:Creatednew atom named:.R<CTYR 20>C12 within residue:Created3new atom named:.R<CTYR 20>C13 within residue:0Creatednew atom named:.R<CTYR 20>013 within residue:ànew atom named:CreatedR<CTYR 20>aC14 within residue:new atom named:Created.R<CTYR 20>?C15 within residue:Creatednew atom named:.R<CTYR 20>H152 within residue:a new atom named:Created015 within residue:.R<CTYR 20>Createda new atom named:.R<CTYR 20>C16 within residue:a new atom named:Created.R<CTYR 20>C17 within residue:Createda new atom named:R<CTYR 20>017 within residue:a new atom named:Added missing heavy atom: .R<CTYR 20>.A<OXT22>total atoms in file: 743Leap added 1 missing atom according to residue templates:1 HeavyThe file contained 321 atoms not in residue templates
求助一下大家 ，我在应用Amber14SB力场时报这个错怎么解决

18217265596

首先上传你完整的leap.in和其他文件

student0618

load分子前source 了哪个leaprc文件？

FF14SB一般是 leaprc.protein.ff14SB

通常还会再source水的力场及其它需要用的