Hi everyone,
I am parameterizing a small ligand in Amber 18 with ambertools19.
On saving parameters, I get the following error:
> saveamberparm MEM MEM.prmtop MEM.inpcrd
Checking Unit.
Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
!FATAL ERROR----------------------------------------
!FATAL: In file [unitio.c], line 1810
!FATAL: Message: 1-4: cannot add bond 4 5
This may be caused by duplicate bond specifications;
for example, explicit bond commands in addition to PDB conect records.
!
!ABORTING.
Ligand and leap files are attached.Need your advice.
Thanks,Hira
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Received on Tue Sep 03 2019 - 04:00:02 PDT
