On Fri, Sep 2, 2011 at 6:20 AM, madhumita das
<madhumita.bioinfo.gmail.com>wrote:
> Hi all the Amber users,
>
>
> I have created a library file for a new
> residue CYP(modified Cysteine: CysSHg+) I have done this according to amber
> tutorial,but whenever I go to save topology and coordinate files in xleap
> as
> saveAmberParm CYP CYP.prmtop
> CYP.prmcrd
> following error comes.
> Improper number of arguments!
> Usage: <unit> <topologyfile>
> <coordfile>
>
This error message is pretty clear. You need to supply a file name for the
input file. Try this:
saveamberparm CYP CYP.prmtop CYP.inpcrd
>
> Can anyone help me where I am doing wrong? What should be the correct
> approach to get topology and coordinate files from library file?
>
>
>
> Yours faithfully,
>
> Madhumita Das
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Sep 02 2011 - 20:30:04 PDT
