Re: [AMBER] coordinate and topology files using tleap from RED server output files

From: FyD <>
Date: Tue, 15 Jul 2014 13:01:41 +0200

Dear Iqbal, Muhammad Sajid,

> I am working on DMSO example and generate p2n, and mol2 files using the RED
> server. Could any one explain step by step how I can generate top. and
> coords. files? I had tried but not successful. Please check the attached
> files.

R.E.D. Server and that P2N file format are outdated...

Just use R.E.D. Server Dev.PyRED

Once the job is generated, but run the leap script available:


    tar -jxvf P$x.tar.bz2
    cd P$x/Data-R.E.D.Server/Data-Default-Proj
    xleap -f leaprc.q4mdfft

regards, Francois

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Received on Tue Jul 15 2014 - 04:30:02 PDT
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