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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Received on Sun Dec 09 2007 - 06:07:44 PST
