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