How can i understand my simulation how much time need?

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Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?

01 March 2021 3,422 3 View

Sample modeling in ABAQUS software and its relationship with the real world?

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absorption= 1-mag(S(FP1:1,FP1:1)S(FP1:1,FP1:1))-mag(S(FP2:1,FP1:1)S(FP2:1,FP1:1)) is it correct for absorption ?

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17 February 2021 9,178 2 View

An article on the Iranian state's civil liability in the COVID-19 matter needs supervision; Is anyone interested in collaborating?

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Inter-rater / inter-coder reliability for thematic analysis?

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3D visualization of MRI images on a web browser?

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Is ANSYS Fluent good for simulation of a three phase reactor(stusy of its hydrodynamics or mass transfer...)?

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How to define two different phases with different species?

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How to analyze a particular region of my simulation box in GROMACS?

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How can I assign a velocity along one direction to CO2 molecules in a molecular dynamics simulation using GROMACS?

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How does GROMACS calculate the average structure of proteins?

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Problem in energy minimization using Gromacs?

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RDF calculation of water inside the Carbon nanotubes?

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How to obtain parameters to run a simulation for benzene using CHARMM forcefield in GROMACS?

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Joseph Gerges

you can follow the evolution of the density or the energy of the system. Whe the density/energy tend to stabilize, that means that the system is equilibrated.

Joseph

Dr Thirumal Kumar D

Check the convergence in regular interval of time to know the optimum time.

Mohammad Mahmoudi Gomari

OK, i know when my system arrive to stable state in nvt and npt its equilibrate, i want know how much time is need for MD stage?do you mean is energy convergence in MD stage or nvt or npt?