AMBER Archive (2007)

Subject: Re: AMBER: Problem with antechamber

From: Anju Sharma (anju.020384_at_gmail.com)
Date: Thu Aug 02 2007 - 04:03:36 CDT

Hello Sir,
 Hereby m attaching my frc and prep file along wth Pdb file of drug, Again
quoting my problem below:

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.
--------------------------------------------------------------------------------------------------------------------------------- 

-- 
Anju Sharma
Project Fellow,
NIT, Hamirpur (H.P.)

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