[AMBER] Non standard residue parameterization

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From: madhumita das <madhumita.bioinfo.gmail.com>
Date: Fri, 2 Sep 2011 15:50:19 +0530

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>

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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Received on Fri Sep 02 2011 - 03:30:03 PDT