Dear all,
On generating parameters for non-standard residue, I get the following
warning error on building the prmtop and inpcrd file.
Building improper torsion parameters.
** Warning: No sp2 improper torsion term for CR-CV-NA-FE
atoms are: CE1 CD2 NE2 FE
** Warning: No sp2 improper torsion term for CT-OA-C-O2
atoms are: CG OE2 CD OE1
** Warning: No sp2 improper torsion term for C*-CN-CB-CA
atoms are: CG CE2 CD2 CE3
** Warning: No sp2 improper torsion term for NA-CA-CN-CB
atoms are: NE1 CZ2 CE2 CD2
** Warning: No sp2 improper torsion term for CC-CR-NA-FE
atoms are: CG CE1 ND1 FE
** Warning: No sp2 improper torsion term for C*-CN-CB-CA
atoms are: CG CE2 CD2 CE3
** Warning: No sp2 improper torsion term for NA-CA-CN-CB
atoms are: NE1 CZ2 CE2 CD2
** Warning: No sp2 improper torsion term for CT-O2-C-OD
atoms are: CG OE1 CD OE2
** Warning: No sp2 improper torsion term for CT-O2-C-OA
atoms are: CG OE2 CD OE1
Everything is completed successfully. Considering that I would be
minimizing and equilibrating the structure before production runs , is it
OK to ignore these warning.
Thanks,
Ashwini
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Received on Sun Apr 01 2012 - 22:30:02 PDT
