AMBER Archive (2007)

Subject: Re: AMBER: Problem with antechamber

From: David A. Case (case_at_scripps.edu)
Date: Thu Aug 02 2007 - 10:07:30 CDT

On Thu, Aug 02, 2007, Anju Sharma wrote:

>
> While saving topology files and co-ordinate files for drug molecule using
> antechamber following error occured:

?? There were no errors in what you sent, just informational messages from
LEaP. Do you have other evidence that something is not working correctly?

....dac

> >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.
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