[gmx-users] GROMACS installation problems (fwd)

Erik Lindahl lindahl at sbc.su.se
Mon Dec 12 09:13:43 CET 2005


You don's say what "the respective directory" is. Read the FAQ and  
installation instructions at www.gromacs.org for instruction on how  
to specify the library locations.



PS: The "from" address in your mail is set to "David van der Spoel".  
Either our mail list server or your program is misconfigured.

> Hi Dr.Spoel,
> My research involves analysis of a modelled nucleosome(a protein -DNA
> complex)
> I intend to use GROMACS for energy minimisation and for molecular  
> dynamics
> but I encounter the following problems wrt its installation:
> 1. On configuring GROMACS,it complains that  fft3w does not exist even
> though it was installed in the respective directory.
> Pls help in overcoming the problem.
> Thanks
> Viji
> Vijayalakshmi.M
> Graduate Student(Dr.G.V.Shivashankar's lab)
> National Centre for Biological Sciences
> Tata Institute of Fundamental Research
> Bangalore
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Erik Lindahl  <lindahl at sbc.su.se>     Backup address:  
<erik.lindahl at gmail.com>
Assistant Professor, Computational Structural Biology
Stockholm Bioinformatics Center, Stockholm University, SE 106 91  
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214

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