On Tue, Sep 06, 2011, madhumita das wrote:
>
> As I wrote earlier that I am not getting the outputs(topology and
> coordinate files) of my pdb file of a modified residue by running XLeap
> despite of creating parameter(frcmod) and library (.lib ) files.I have
> attached all three files with this mail. Since I was not allowed to send
> an executable file(CYP.lib), I have renamed it from CYP.lib to CYPlib for
> sending purpose. Please help someone.
Two things I see:
1. We don't know what commands you gave to LEaP, or what error messages you
received.
2. The pdb file has DOS line endings (^M); see if getting rid of those will
help.
....dac
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Received on Tue Sep 06 2011 - 06:00:03 PDT
