QM-MM error in 2002.01

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QM-MM error in 2002.01

From: SZ Knottenbelt <szk100_at_email.domain.hidden>
Date: Wed, 20 Mar 2002 11:59:36 +0000 (GMT)

Hi
I have tried to run a QM-MM input file that worked well in ADF 2000.02 of
a chloride bridged metal dimer (PEt3)3RuCl3Ru(PEt3)3 and get the error

'atom 1 has more 1-4 interactions than maximum allowed: 30

Increase value of MXNR14 in mm_non_bonded_module'

atom 1 is Ru and the QM-MM partition is between each P and C

how should i do this, please help!

thanks

Sushilla Knottenbelt
Chemistry Department
University of York
Heslington, York YO105DD
UK
Received on 2002-03-20 13:08:00

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