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

[Pradip K Biswas]

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
independently.

best,
pb.