[gmx-users] regarding gromacs installation
Justin Lemkul
jalemkul at vt.edu
Mon Sep 22 14:51:34 CEST 2014
On 9/22/14 3:00 AM, Anurag Dobhal wrote:
> I have followed the following steps for installaing gromacs 5.0.1
>
> tar xfz gromacs-5.0.1.tar.gz
> cd gromacs-5.0.1
> mkdir build
> cd build
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
> make
> make check
> sudo make install
> source /usr/local/gromacs/bin/GMXRC
>
>
>
> please tell me weather these steps are enough to install gromacs or do i
> need to do some thing more.
>
In a simple sense, if it worked, then sure, that's all you need to do. Whether
or not that's the best way to install Gromacs on your system is another matter,
but that's why we provide
http://www.gromacs.org/Documentation/Installation_Instructions
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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