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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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