Dear Ashwini,
These are warnings and not errors; so Yes you might proceed.
Or you might look at these warnings to solve some of them...
regards, Francois
> 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.
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Received on Sun Apr 01 2012 - 22:30:04 PDT
