Hi,
It seems you are loading an RNA or a DNA molecule in leap. Before you load
a pdb into leap, you should check the pdb file that the residues name of
the pdb correspond to the regular name.
For example, the residues name of A G T C of DNA in leap shoule be DA DG DT
DC, and the residues name of A G U C of DNA in leap shoule be RA RG RU RC.
Hope this helps.
2014-03-07 13:07 GMT+08:00 ะคมข <xiaoli19871216.gmail.com>:
> Hi,all:
> I met a problem in using xleap. I load the rna pdb file, and try to save
> the prmtop and inpcrd file. But I can't save it and it shows the following
> error message:
> FATAL: Atom .R<A36 504>.A<P 1> does not have a type.
> FATAL: Atom .R<A36 504>.A<O1P 2> does not have a type.
> FATAL: Atom .R<A36 504>.A<O2P 3> does not have a type.
> FATAL: Atom .R<A36 504>.A<O5' 4> does not have a type.
> FATAL: Atom .R<A36 504>.A<C5' 5> does not have a type.
> FATAL: Atom .R<A36 504>.A<C4' 6> does not have a type.
> FATAL: Atom .R<A36 504>.A<O4' 7> does not have a type.
> FATAL: Atom .R<A36 504>.A<C1' 8> does not have a type.
> FATAL: Atom .R<A36 504>.A<N9 9> does not have a type.
> FATAL: Atom .R<A36 504>.A<C8 10> does not have a type.
> FATAL: Atom .R<A36 504>.A<N7 11> does not have a type.
> FATAL: Atom .R<A36 504>.A<C5 12> does not have a type.
> FATAL: Atom .R<A36 504>.A<C6 13> does not have a type.
> FATAL: Atom .R<A36 504>.A<N6 14> does not have a type.
> FATAL: Atom .R<A36 504>.A<N1 15> does not have a type.
> FATAL: Atom .R<A36 504>.A<C2 16> does not have a type.
> FATAL: Atom .R<A36 504>.A<N3 17> does not have a type.
> FATAL: Atom .R<A36 504>.A<C4 18> does not have a type.
> FATAL: Atom .R<A36 504>.A<C3' 19> does not have a type.
> FATAL: Atom .R<A36 504>.A<C2' 20> does not have a type.
> FATAL: Atom .R<A36 504>.A<O2' 21> does not have a type.
> FATAL: Atom .R<A36 504>.A<O3' 22> does not have a type.
> FATAL: Atom .R<A37 505>.A<P 1> does not have a type.
> FATAL: Atom .R<A37 505>.A<O1P 2> does not have a type.
> FATAL: Atom .R<A37 505>.A<O2P 3> does not have a type.
> FATAL: Atom .R<A37 505>.A<O5' 4> does not have a type.
> FATAL: Atom .R<A37 505>.A<C5' 5> does not have a type.
> FATAL: Atom .R<A37 505>.A<C4' 6> does not have a type.
> FATAL: Atom .R<A37 505>.A<O4' 7> does not have a type.
> FATAL: Atom .R<A37 505>.A<C1' 8> does not have a type.
> FATAL: Atom .R<A37 505>.A<N9 9> does not have a type.
> FATAL: Atom .R<A37 505>.A<C8 10> does not have a type.
> FATAL: Atom .R<A37 505>.A<N7 11> does not have a type.
> FATAL: Atom .R<A37 505>.A<C5 12> does not have a type.
> FATAL: Atom .R<A37 505>.A<C6 13> does not have a type.
> FATAL: Atom .R<A37 505>.A<N6 14> does not have a type.
> FATAL: Atom .R<A37 505>.A<N1 15> does not have a type.
> FATAL: Atom .R<A37 505>.A<C2 16> does not have a type.
> FATAL: Atom .R<A37 505>.A<N3 17> does not have a type.
> FATAL: Atom .R<A37 505>.A<C4 18> does not have a type.
> FATAL: Atom .R<A37 505>.A<C3' 19> does not have a type.
> FATAL: Atom .R<A37 505>.A<C2' 20> does not have a type.
> FATAL: Atom .R<A37 505>.A<O2' 21> does not have a type.
> FATAL: Atom .R<A37 505>.A<O3' 22> does not have a type.
> Can anyone tells me how to fix it?
> Thank you
>
> --
> Li Xiao
> University of California, Irvine
> Email: xiaoli19871216.gmail.com
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>
--
Baifan Wang, Ph.D.
State Key Laboratory of Elemento-Organic Chemistry
Department of Chemical Biology College of Chemistry
Nankai University
TIANJIN, 300071, P. R. CHINA
E-mail: ferlich.comput.gmail.com
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Received on Thu Mar 06 2014 - 23:00:03 PST
