Author Topic: No scaling in Intra14VDW/Intra14Columb  (Read 496 times)

Eliza

  • Newbie
  • *
  • Posts: 1
    • View Profile
No scaling in Intra14VDW/Intra14Columb
« on: June 16, 2020, 02:44:21 AM »
Dear all,

I have a problem with IntraVDW14 and IntraCoulomb14 scaling. For one type of the molecule everything works perfectly, but for the similar one I cannot set any scaling, it is simply 1.0, as default. What I am doing wrong? On which parameters does the scaling for Intra VDW and IntraCoulomb depend?

Best

Christopher

  • Newbie
  • *
  • Posts: 16
    • View Profile
Re: No scaling in Intra14VDW/Intra14Columb
« Reply #1 on: July 05, 2020, 03:04:24 PM »
RASPA determines the 1-4 neighbours by looking at the bending defined in the molecule file. Did you define all bendings?