AMBER: The unperturbed charge of the unit: -20.999999 is not zero.

From: saurabh agrawal <>
Date: Thu, 4 Jan 2007 07:03:49 +0000 (GMT)

Dear Friends,
After running the following command, I got the
following WARNING.

 saveamberparm s s.crd
Checking Unit.
WARNING: The unperturbed charge of the unit:
-20.999999 is not zero.

 -- ignoring the warning.

Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
Building improper torsion parameters.
old PREP-specified impropers:
 <MOL 23>: C38 C30 C31 O32
 <MOL 23>: C41 N29 C28 O32
 <MOL 23>: C31 C33 C30 N29
 <MOL 23>: C30 N34 C33 O37
 <MOL 23>: C39 C35 C36 O37
 <MOL 23>: C36 C5 C35 N34
 <MOL 23>: C35 N1 C5 O4
 <MOL 23>: C2 H3 C3 O4
 <MOL 23>: C26 C3 C2 N1
 <MOL 23>: C2 N27 C26 O25
 <MOL 23>: C23 H24 C24 O25
 <MOL 23>: C24 C10 C23 N27
 <MOL 23>: C23 N6 C10 O9
 <MOL 23>: C7 H8 C8 O9
 <MOL 23>: C12 C8 C7 N6
 <MOL 23>: C7 N13 C12 O11
 <MOL 23>: C14 H15 C15 O11
 <MOL 23>: C15 C16 C14 N13
 <MOL 23>: C14 N17 C16 O20
 <MOL 23>: C18 H19 C19 O20
 <MOL 23>: C19 C21 C18 N17
 <MOL 23>: C18 N42 C21 S22
 total 128 improper torsions applied
 22 improper torsions in old prep form
Building H-Bond parameters.
Not Marking per-residue atom chain types.
Marking per-residue atom chain types.
 (no restraints)

If some could tell me the way to get out of this
WARNING, I shall be highly thankful to him/ her.
 Can i ignore this warning?


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Received on Sun Jan 07 2007 - 06:07:19 PST
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