In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View

What is Flat Lens Antenna?

28 February 2021 5,433 3 View

Can impedance of antenna be less than 50 ohms?

I am simulating helix antenna in hfss, right now, giving excitation with 50 ohms port. When I see the results of Z parameter (real). It shows lower than 50 ohms. Do not understand, if it can be...

27 February 2021 4,218 7 View

LEDs on Vis Light photo degradation of MB water sol via N doped TiO2 in a mini flume?

Good day to all, I have no experience with light emitting diodes. I am building a glass mini flume to demonstrate the photo degradation of Methylene Blue in water running over self cleaning...

26 February 2021 4,026 5 View

What are the pros and cons for mice versus rats?

Hi Everyone, I am designing a pilot study using rodents to assess the effects of simulated space environments (radiation + altered gravity) on microbiome and immune system. I have limited...

24 February 2021 1,825 3 View

To date, according to health authorities, 30% of the population's diseases are initiated by drinking water pollution. Do you know this problem?

The main studies are as follows: * regular and timely receipt of information about the state of the environment using automated systems (stationary and mobile); * operational analysis of the...

23 February 2021 912 5 View

How to include additional force field in GROMACS?

I have a cellulose model system that is best described by the GLYCAM06 force field according to the literature. However, the set of force fields included in the GROMACS package doesn't include the...

20 February 2021 3,309 3 View

What is recommended and opened real-time or nearly real time geospatial data used in flood risk assessment and regional planning on a detailed scale?

I asked recommended real-time or nearly real-time data source for any parameters for flood risk on a microscale analysis for urban area cases in developing countries that had agglomeration urban...

18 February 2021 2,617 2 View

If the electron is a wave, then what is its nature? Is it an electromagnetic wave?

If the electron is a wave, then what is its nature? Is it an electromagnetic wave? Thank you very much,

17 February 2021 9,024 4 View

I want to simulate a system containing protein and heavy metals; which force field is most reliable for this purpose?

The protein I want to simulate has multiple heavy metals. I wanted to know which force-field I should use with GROMACS to achieve this. Most importantly, do the latest updates in the force-field...

16 February 2021 2,420 1 View