06 June 2016 3 9K Report

Currently I am working on nutrient analysis in plant. So I am interested to do the ion chromatography of my treated samples

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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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