|Posted on Sunday, February 15, 2009 - 4:51 am: |
Nice improvements have been made since I last checked this software. Is there a plan to make this software support ABINIT or Quantum-Espresso ?
Btw, as to discussion prior to this one, it would be great to also add support for either GROMACS or NAMD..
Post Number: 78
|Posted on Sunday, February 15, 2009 - 10:27 am: |
The former two packages are under consideration, but it would take some work to make the builder compatible for building periodic systems.
As for GROMACS/NAMD, MD is such a different paradigm that I don't know if the current interface would be too useful!