What is the procedure to calculate RMSE_persistance ?

12 December 2016 0 548 Report

Forecasting skill s=1-(RMSE_forecast/RMSE_persistance) where RMSE_persistance is the root mean square error computed from persistence model.

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MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

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.

16 June 2021 0 0 View

fatal error

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fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

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