force parameter format


  • Guest -
12:30:28 PM PDT - Thu, Aug 4th 2011
Hi,

For vdW interaction parameters in NWCHEM parameter file, what does it mean by " Use Q flag to restrict VDW parameters to QM atoms only"?
Thanks

Roy

  • Guest -
2:31:04 PM PDT - Wed, Aug 17th 2011
This should allow to define different vdw parameters for quantum atom without affecting the same atom types which are treated classically


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