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#31331 - 01/25/13 01:29 PM building structural water
aak Offline
Forum Member

Registered: 01/11/13
Posts: 9
Loc: KY, USA
I am getting following error on hbuild

Attempt to construct a hydrogen bonded to the atom SWAT 1 TIP3 OH2 with unknown coordinates.

what does this mean? I have read the pdb file before hbuild.

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#31332 - 01/25/13 03:00 PM Re: building structural water [Re: aak]
lennart Online   content

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Registered: 09/25/03
Posts: 4741
Loc: ~ 59N, 15E
This means that the coordinates of the atom "SWAT 1 TIP3 OH2" are not known to CHARMM when the "attempt to construct a hydrogen" is made. For some reason your reading of the pdb file was unsuccessful in this regard. This is all we can say with the information you provide. Actual input and output (brief and relevant!) is necessary.
_________________________
Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden

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#31333 - 01/27/13 02:35 PM Re: building structural water [Re: aak]
aak Offline
Forum Member

Registered: 01/11/13
Posts: 9
Loc: KY, USA
thank you...
pdb file was disturbed... got it

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