[gmx-users] Installing Gromacs 4.6.5 - Problem with FFTW

Justin Lemkul jalemkul at vt.edu
Mon Jan 20 02:49:56 CET 2014



On 1/19/14, 6:48 PM, GtrAngus wrote:
> So what I did until now:
>
> I unpacked the *.tar file to the folder:
>
>
>
>
> I made a new directory with
>
>
>
> just like in the "quick and dirty installation" for gromacs.
>
> When I am running
>
>
>
> cmake checks and looks for some stuff (I am sorry to tell this way because I
> have no idea what it is doing here...). It finds some of the required parts
> and some are missing. I will post the last few lines in the console:
>
>
>
> Now, what should I do in the next step? Can I go along with:
>
>
>
> and later
>
>
>
> ?? Or should I try something diverent? I am sure these are noobish questions
> but I am totally confused here. I guess it would be very helpfully, if you
> can show me how to install gromacs into the default directory.
>
> VMD is installed to:
>
>
> How can I link gromacs to VMD?
>

The commands you are issuing and the resulting output are not coming through in 
your email.  Note the blank spaces above in your message where the commands 
should be.  The "quick and dirty" installation is designed to install Gromacs in 
the default location, assuming everything else it needs is in "normal" locations 
in the $PATH, etc.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
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

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