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

[Gianluca Interlandi]

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).

Gianluca

On Sat, 31 Aug 2013, Justin Lemkul wrote:

>
>
> 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"?
>> 
>
> -DBUILD_SHARED_LIBS=ON
>
> -Justin
>
> -- 
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
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> University of Maryland, Baltimore
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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-----------------------------------------------------
Gianluca Interlandi, PhD gianluca at u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
                     http://healthynaturalbaby.org
-----------------------------------------------------