Hi
I am facing similar problem. I go through the tutorial carefully.
However, I got the error message as stated below
saveamberparm 1PLC 1PLC.prmtop 1PLC.inpcrd
Checking Unit.
FATAL: Atom .R<CUA 100>.A<CU 1> does not have a type.
Failed to generate parameters
Parameter file was not saved.
Everything was going well before this step. Please state me where is my wrong.
Thanks in advance
Sudipta
On 3/26/12, Bala subramanian <bala.biophysics.gmail.com> wrote:
> Hello,
> I am trying to reproduce tutorial A1. In section two, it is shown how to
> use leap to create a new residue (for copper). I followed the same
> procedure as given in the tutorial. creating a unit called CUA - editing
> the copper atom to define type and charge - saving the library as cua.lib.
>
> After creating a new residue called CUA and saving the lib file, I quit the
> leap and then started it again. Then i tried to create a prmtop and crd
> files for copper but leap shows me the following error.
>
>> loadoff cua.lib
> Loading library: ./cua.lib
> Loading: CUA
>> saveamberparm CUA cua.top cua.crd
> Checking Unit.
> WARNING: The unperturbed charge of the unit: 1.000000 is not zero.
> WARNING: The perturbed charge: 1.000000 is not zero.
> -- ignoring the warnings.
>
> Building topology.
> Building atom parameters.
> For atom: .R<CUA 100>.A<CU 1> Could not find type: CU
> Parameter file was not saved.
>
> Herewith i have attached the leap.log file and the cua.lib (renamed as just
> cua) files. Kindly write me what is going wrong here.
>
> Thanks,
> --
> C. Balasubramanian
>
--
==========================================================
Dr. Sudipta Kumar Sinha ||
Postdoctoral Employee ||
C/O Prof. Leonor Saiz ||
Department Of Biomedical Engineering ||
University of California, Davis ||
U.S.A ||
Email-sudipta.mml.gmail.com <Email-sudipta.chem.iitkgp.ernet.in>
||
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Received on Thu Jun 14 2012 - 13:30:03 PDT
