Fatal error:
Residue 3 named LEU of a molecule in the input file was mapped
to an entry in the topology database, but the atom CD2 used in
that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed.
查找pdb中对应内容：
ATOM 29 N LEU A 5 28.311 -5.823 -22.825 1.00 12.94
ATOM 30 CA LEU A 5 28.554 -7.039 -22.077 1.00 11.13
ATOM 31 C LEU A 5 27.658 -8.143 -22.506 1.00 10.18
ATOM 32 O LEU A 5 26.455 -7.948 -22.723 1.00 12.08
ATOM 33 CB LEU A 5 28.364 -6.789 -20.554 1.00 14.64
ATOM 34 CG LEU A 5 29.277 -5.734 -20.004 1.00 17.62
ATOM 35 CD1 LEU A 5 28.919 -5.574 -18.552 1.00 21.16
ATOM 36 CD1 LEU A 5 30.727 -6.122 -20.171 1.00 21.23
ATOM 37 H LEU A 5 27.501 -5.542 -22.762 1.00 99.99
ATOM 38 HA LEU A 5 29.470 -7.322 -22.223 1.00 99.99
ATOM 39 HB1 LEU A 5 27.450 -6.505 -20.395 1.00 99.99
ATOM 40 HB2 LEU A 5 28.541 -7.615 -20.076 1.00 99.99
ATOM 41 HG LEU A 5 29.122 -4.892 -20.461 1.00 99.9
查找rpt文件对应内容：
[ LEU ]
[ atoms ]
N N -0.41570 1
H H 0.27190 2
CA CT -0.05180 3
HA H1 0.09220 4
CB CT -0.11020 5
HB1 HC 0.04570 6
HB2 HC 0.04570 7
CG CT 0.35310 8
HG HC -0.03610 9
CD1 CT -0.41210 10
HD11 HC 0.10000 11
HD12 HC 0.10000 12
HD13 HC 0.10000 13
CD2 CT -0.41210 14
HD21 HC 0.10000 15
HD22 HC 0.10000 16
HD23 HC 0.10000 17
C C 0.59730 18
O O -0.56790 19
发现pdb文件中包含对应的CD2，但好像编号不对，请问可以用什么方法修复吗？