AMBER Archive (2007)

Subject: AMBER: ** No torsion terms for SNI-NI-SNI-CT

From: Boutheina Kerkeni (b.kerkeni_at_ucl.ac.uk)
Date: Fri Dec 07 2007 - 16:17:07 CST

Hi Amber users

I have a problem when I try to create the prmtop and inpcrd files.
I have loaded the necessary library files for nonstandard residues-
and the frcmod files (there are 2 since I have 2 non-standard
clusters) Although the torsion like SNI-NI-SNI-CT was included in
one of the frcmod files.
xleap writes out a series of messages like:
(all these torsins were specified in frcmod file!)

** No torsion terms for SNI-NI-SNI-CT
  ** No torsion terms for SNI-NI-SNI-FE
  ** No torsion terms for SNI-NI-SNI-CT
  ** No torsion terms for SNI-NI-SNI-FE
  ** No torsion terms for SNI-NI-SNI-CT
  ** No torsion terms for H1-CT-SNI-NI
  ** No torsion terms for H1-CT-SNI-NI
  ** No torsion terms for CT-SNI-NI-SNI
  ** No torsion terms for CT-SNI-NI-SNI
  ** No torsion terms for CT-SNI-NI-SNI
  ** No torsion terms for CT-CT-SNI-NI
  ** No torsion terms for SNI-FE-C3-O3
  ** No torsion terms for SNI-FE-C2-N2
  ** No torsion terms for SNI-FE-C1-N1
  ** No torsion terms for SNI-FE-SNI-CT
  ** No torsion terms for SNI-FE-SNI-NI

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