Hi Anju
It would be better if you send your prep and frc files also.
Gurpreet
On 8/2/07, Anju Sharma <anju.020384.gmail.com> wrote:
>
>
> Hello Sir,
>
> While saving topology files and co-ordinate files for drug molecule using
> antechamber following error occured:
>
> -----------------------------------------------------------------------------------------------------------------------------------------
> >saveamberparm MTX /usr/local/try/mtx3.top /sr/local/try/mtx3.crd
> Checking Unit
> Building topology
> Building atom parameters
> Building bond parameters
> Building angle parameters
> Building proper torsion parameters
> Building improper torsion parameters
> Old PREP-specified impropers:
> <MTX 1>: C16 C1 C17 O18
> <MTX 1>: C17 C12 C1 C2
> <MTX 1>: C1 C5 C2 O3
> <MTX 1>: C7 C2 C5 H6
> <MTX 1>: C9 C5 C7 H8
> <MTX 1>: C7 C12 C9 O10
> <MTX 1>: C13 C9 C12 C1
> <MTX 1>: C12 C15 C13 O14
> <MTX 1>: C13 C16 C15 C19
> <MTX 1>: C17 C15 C16 C42
> <MTX 1>: C16 C40 C42 N43
> <MTX 1>: C45 C42 N43 H44
> <MTX 1>: C42 C38 C40 H41
> <MTX 1>: C40 C19 C38 H39
> <MTX 1>: C15 C38 C19 N20
> <MTX 1>: C22 C19 N20 H21
> total 2 improper torsions applied
> 16 improper torsions in old prep form
> Building H-Bond parameters.
> Not Marking per-residue atom chain types.
>
> ---------------------------------------------------------------------------------------------------------------------------------
>
> Hereby i am attaching my .Pdb file for your kind reference. If there is
> any fault in my pdb file then please let me know soo that i may correct it.
>
> --
> Anju Sharma
> Project Fellow,
> NIT, Hamirpur (H.P.)
>
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Received on Sun Aug 05 2007 - 06:07:20 PDT
