Jose Ramon Blas wrote:
>
> Hi amberfriends!
> 1) I start LEaP.
> 2) I load the amber parameters ( the standard ones and a .prm file that
> contains some new parameters)
> 3) I load a library containing two new residues ( which I have created from a
> pdb file following exactly the path specified in the AMBER web page).
> 4) Then I try to load a pdb file that contains these two residues.
> 5)The program, here, breaks down giving me a message like this.
>
> !FATAL ERROR----------------------------------------
> !FATAL: In file [chirality.c], line 115
> !FATAL: Message: No P in aaOrig list
> !
> !ABORTING.
> Abort
>
> ...
>
> Does anybody know what has happened? It would be great if anyone could give me
> a possible answer.
> Thanks a lot,
>
> Blas
Check if there's a TER (termination) line after each of the two new
residues in the pdb file ... I believe LEaP needs this line.
Elsa
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"Twas brillig, and the slithy toves
Did gyre and gimble in the wabe:
All mimsy were the borogoves
And the mome raths outgrabe."
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Elsa Fernanda de Sousa Henriques e-mail: eshenriq_at_fc.up.pt
Departamento de Quimica phone: +351-22-6082827
Faculdade de Ciencias, Universidade do Porto fax: +351-22-6082959
Rua do Campo Alegre, 687
4169-007 PORTO PT
Received on Thu Apr 13 2000 - 08:06:09 PDT
