Thanks, Dr. Case, a more technical question might be, from the
simulation point of view to impose these parameters is needless, yet the
other imposed torsional angles are enough to take care of that
planarity, no?
J.
On 11/30/2013 12:13 PM, case wrote:
> On Fri, Nov 29, 2013, Jorge Iulek wrote:
>
>> Building improper torsion parameters.
>> ** 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 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 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 CB-N*-CB-NC
>> atoms are: C5 N9 C4 N3
>> ** Warning: No sp2 improper torsion term for CA-NB-CB-CB
>> atoms are: C6 N7 C5 C4
>> total 1241 improper torsions applied
> These messages are expected ones, and are not errors.
>
> ...dac
>
>
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Received on Sun Dec 01 2013 - 04:00:03 PST
