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Author Topic: No scaling in Intra14VDW/Intra14Columb  (Read 1276 times)

Eliza

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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
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Christopher

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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?
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