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[求助] amber模拟受体-配体复合物报错，小分子力场问题

用amber模拟受体配体复合物出错，麻烦各位大神看看究竟是什么问题，如何解决呢？

> com = loadpdb gcx171.pdb
Loading PDB file: ./gcx171.pdb
-- residue 0: duplicate [ C] atoms (total 18)
-- residue 0: duplicate [ H] atoms (total 2)
-- residue 0: duplicate [ N] atoms (total 5)
-- residue 0: duplicate [ O] atoms (total 2)

Warning: Atom names in each residue should be unique.
   (Same-name atoms are handled by using the first
   occurrence and by ignoring the rest.
   Frequently duplicate atom names stem from alternate
   conformations in the PDB file.)

Bond: Maximum coordination exceeded on .R<UNK 0>.A<H3 7>
   -- setting atoms pert=true overrides default limits
ATOMS NOT BONDED: .R<UNK 0>.A<C 4> .R<UNK 0>.A<H3 7>
!FATAL ERROR----------------------------------------
!FATAL: In file [atom.c], line 445
!FATAL: Message: bondAtomProblem found
!
!ABORTING.

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