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

Justin Lemkul jalemkul at vt.edu
Sat Aug 31 20:42:59 CEST 2013

On 8/31/13 2:32 PM, Gianluca Interlandi wrote:
> Thanks Justin.
> I have been wondering where I can find all options of cmake (./configure --help
> used to print all possible options, whereas cmake --help prints out just the
> usage of cmake itself).

There's nothing like this that I'm aware of, but that's a problem on the CMake 
level, not the Gromacs level.  There are lots of threads online asking the same 
thing.  There are several methods for going through the CMake options, including 
interactively and/or via a GUI.  See 



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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