AMBER Archive (2004)

Subject: AMBER: How to solve these warnings?

From: Xiao He (hx_at_itcc.nju.edu.cn)
Date: Wed Apr 21 2004 - 03:37:40 CDT


Hi,Amber users

I use antechamber to deal with my organic ligand.
When I save it to top and crd file:

Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
Building improper torsion parameters.
 ** Warning: No sp2 improper torsion term for H-H-N3-H
        atoms are: H1 H2 N H3
 ** Warning: No sp2 improper torsion term for H-H-N3-CT
        atoms are: H1 H2 N CA
 ** Warning: No sp2 improper torsion term for H-H-N3-CT
        atoms are: H1 H3 N CA
 ** Warning: No sp2 improper torsion term for H-H-N3-CT
        atoms are: H2 H3 N CA
 ** Warning: No sp2 improper torsion term for CT-H-N3-H
        atoms are: CE HZ1 NZ HZ2
 ** Warning: No sp2 improper torsion term for CT-H-N3-H
        atoms are: CE HZ1 NZ HZ3
 ** Warning: No sp2 improper torsion term for CT-H-N3-H
        atoms are: CE HZ2 NZ HZ3
 ** Warning: No sp2 improper torsion term for H-H-N3-H
        atoms are: HZ1 HZ2 NZ HZ3
 ** Warning: No sp2 improper torsion term for CT-H-N3-H
        atoms are: CE HZ1 NZ HZ2
.....

How to solve these warnings?

Thanks in advance!

        Xiao He
        hx_at_itcc.nju.edu.cn
          2004-04-21

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