[gmx-users] Re: Query on Gromacs-CPMD QMMM Interface

Pradip K Biswas p.biswas at csuohio.edu
Sun Sep 10 17:37:00 CEST 2006

Hi Sandeep,

To compile gmx-3.3.1_qmmm-1.3, the configure option --with-qmmm-cpmd does
not require CPMD to be compiled and installed beforehand. The preprocessor
flag just includes the calls for the interface to CPMD functions available
inside gmx-3.3.1_qmmm-1.3. You can compile gmx-3.3.1_qmmm-1.3


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