Respected amber community,
I am tying to gaenarate perameter file for a pdb using tleap. But when i upload the pdb file in tleap, I am getting this error -
> glu=loadpdb all_site_single_mann_amber_modi.pdb
Loading PDB file: ./all_site_single_mann_amber_modi.pdb
Added missing heavy atom: .R<CASN 21>.A<OXT 15>
Added missing heavy atom: .R<CTHR 51>.A<OXT 15>
Error: Comparing atoms
.R<0MA 53>.A<C2 3>,
.R<0MA 53>.A<H1 2>,
.R<0MA 52>.A<C1 1>, and
.R<0MA 53>.A<O5 16>
to atoms
.R<0MA 53>.A<C2 3>,
.R<0MA 1>.A<C1 1>,
.R<0MA 53>.A<H1 2>, and
.R<0MA 52>.A<C1 1>
This error may be due to faulty Connection atoms.
!FATAL ERROR----------------------------------------
!FATAL: In file [chirality.c], line 142
!FATAL: Message: Atom named C1 from 0MA did not match !
!
!ABORTING.
Can any one suggest any soluton to solve this?
Thanking You,
Bilash Maity
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Received on Thu Jan 04 2024 - 23:30:02 PST
