[gmx-users] files related to commands in C or FORTRAN

[Justin Lemkul]

On 6/12/15 2:57 PM, mah maz wrote:
> hi Justin,
> in the gromacs website i can see different versions, regressiontests and
> xdrs. which one should i download?
> my question is about a code written for each command eg. msd calculation.
> where can i find it?

http://www.gromacs.org/Downloads

Pick the GROMACS release that matches whatever version you're using.  You want 
the actual GROMACS source, not the XDR library or testing machinery.

The location of the code for analysis tools varies slightly by version, but 
should be in src/tools in the 4.6.x series, src/gromacs/gmxana in 5.0 and newer.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
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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