Mailinglist Archive: opensuse (4547 mails)

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Re: [SLE] Protein Folding source code
  • From: Luca Mollica <luca_mollica@xxxxxxxxxxx>
  • Date: Thu, 6 May 2004 13:54:37 +0200
  • Message-id: <200405061354.37414.luca_mollica@xxxxxxxxxxx>
Martin,

just a few remarks about GROMACS usage:

1. GROMACS is based on FFT software (Fourier Transformation), so you have to
install it before installing GROMACS

2. GROMACS output files are pdb/gro files for structures and xvg for raw data.
pdb files are readable by Rasmol, VMD and other common molecular graphics
tools, bu gro files are only processed and displayed by VMD, so I sugges to
download it.
xvg files are naturally read by xmgr, but I don't know if it is mantained yet
or not: a good alternative is xmgr. SUSE 9.0 provides xmgr, but you can also
download it from the web (Weizman Institute is the software provider and
mantainer, if I remember well).

3. In the GROMACS section dedicated to developers, you can find also some
unofficial tools for GROMACS: browse the section for your purpose.

LM


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