What are the meanings of variables hj and gj in equations (1) and (3) in the paper?

02 February 2015 1 7K Report

Hi, I have read this paper carefully, but I don't know what are the meanings of variables hj and gj in equations (1) and (3) in the paper. Hope anyone can help me to understand it. Many thanks.

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fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

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fatal error

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fatal error

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fatal error

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