[gmx-users] grompy and how to call energy routine

Justin Lemkul jalemkul at vt.edu
Sat Aug 31 20:23:43 CEST 2013

On 8/31/13 2:16 PM, Gianluca Interlandi wrote:
> After reading a bit more in the grompy directory, I found that the file
> __init__.py loads the necessary libraries, e.g., mdrun.so. This is because
> gromacs (they use version 4.0.7) was compiled with the flag --enable-shared. I
> am using version 4.6.3 which uses "cmake" instead of "configure". Is there an
> equivalent flag for cmake that corresponds to "--enable-shared"?




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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