04 April 2019 1 6K Report

I am working on molecular dynamic simulation of urease protein. Anybody who work on it kindly give me parameters files for nickel or help me how can i design it?

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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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