[gmx-users] Modified Gromacs and OPENMM

Justin A. Lemkul jalemkul at vt.edu
Fri Apr 29 22:08:55 CEST 2011

Chi-cheng Chiu wrote:
> Hi Gromacs users & developers,
> If I modified gromacs, will my modification works if I complied it with 
> OPENMM and use GPU? 

Presumably, if you have written sound code that uses compatible functions that 
are actually implemented in the OpenMM library, then yes.  If you want a more 
specific answer, you'll have to be more specific about what "modified Gromacs" 
actually means.


> Thanks!
> Regards,
> Chi-cheng


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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