Hi everyone
Can I ignore these error as I mention in previous message.
Thanks.
On Jul 11, 2017 12:48 PM, "Rana Rehan Khalid" <rrkhalid.umich.edu> wrote:
> Now i have made some changes in my pdb file according to prep file then
> tleap loads file but what are these lines meaning kindly guide me thanks
> Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-C4D-ND-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-C1D-ND-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-C4B-NB-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-C1B-NB-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-NA-FO-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-FO-O1-*
> +--- With Sp0 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-FO-NB-*
> +--- With Sp0 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-NC-FO-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-FO-ND-*
> +--- With Sp0 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> total atoms in file: 3058
> Regards
>
> On Tue, Jul 11, 2017 at 12:22 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
> wrote:
>
>> Hi everyone I am facing this error kindly guide me
>> +--- Sp0 probably means a new atom type is involved
>> +--- which needs to be added via addAtomTypes
>> ERROR: Comparing atoms
>> .R<HEO 187>.A<ND 55>,
>> .R<HEO 187>.A<NC 39>,
>> .R<HEO 187>.A<NB 23>, and
>> .R<HEO 187>.A<NA 2>
>> to atoms
>> .R<HEO 187>.A<ND 55>,
>> .R<HEO 187>.A<NC 39>,
>> .R<HEO 187>.A<O1 74>, and
>> .R<HEO 187>.A<NA 2>
>> This error may be due to faulty Connection atoms.
>> !FATAL ERROR----------------------------------------
>> !FATAL: In file [chirality.c], line 142
>> !FATAL: Message: Atom named O1 from HEO did not match !
>> !
>> !ABORTING.
>>
>> Kind Regards
>>
>>
>
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Received on Tue Jul 11 2017 - 14:30:02 PDT
