I would like to know how do i set up the parameters related to the external electromagnetic fields in my mdp file?

Gromacs, molecular dynamic simulation

08 September 2016 8,819 0 View

Does anyone have any idea where I can get nickel force field parameter?

gromacs, force field, nickel

06 July 2015 9,227 0 View

Is it possible to compute ion conductivity using existing Gromacs tools? How might I calculate ionic conductance through bilayer in gromacs?

ionic current, gromacs

04 May 2015 3,429 1 View

When I run the trjconv ,who to select the two group together for the output?

gromacs

03 April 2015 4,047 1 View

How should I set up the parameters of the external electric field in mdp file?

Application of electric fields in molecular dynamic simulation (GROMACS).

01 February 2015 8,096 7 View

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

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

What are the most reliable approaches to extract key continuous frames from a video, with complete automation?

I have an input video, of skin (from a microscope that means it is magnified such that blood capillaries are visible). The idea is to extract 15 sec of continuous frames from a video of 1 min,...

02 March 2021 2,735 2 View

How can extract ciprofloxacin hydrochloride disolve in water er to organic solvent such as dichloromethan or any other solvent?

I need a procedure to extract the ciprofloxacin hydrochloride from aqueous solution by using dichloromethane in detail,. I thank you very much.

01 March 2021 4,306 1 View

Which bacteria are suitable for quorum sensing screening?

I want to find a quorum sensing inhibitor from plant extracts. Klebsiella pneumoniae, Moraxella catarrhalis, Staphylococcus aureus, and Streptococcus pneumoniae. I looked for these strains...

01 March 2021 7,675 3 View

Does any one can help me choose a reasonable basis set for intermediate metal ions interactions with guanine (i.e Fe2+, Mn2+, Cu2+ and exc.)?

Hello every body Does any one has any idea to help me choose a reasonable basis set for intermediate metal ions (i.e Fe2+, Mn2+, Cu2+ and exc.) interactions with guanine or other DNA organic...

01 March 2021 6,187 2 View

How to perform statistical analysis of coefficients extracted from transform techniques?

I am studying the potential of DCT and FFT coefficients extracted from a signal to classify the different objects that emit the signal. I applied the Shapiro-Wilk to confirm that data was not...

01 March 2021 8,079 2 View

How to remove fatty material from plant extract?

The resultant solid was partitioned three times with 250 ml of petroleum ether (40-60/c) to remove any fatty material and evaporated to dryness.

28 February 2021 9,464 2 View

Can water be extracted from Olivine?

I have always been interested in geology and wondered about how unique structures of materials behave in different circumstances. I stumbled upon Olivine, the magnesium iron silicate, and heard...

28 February 2021 7,330 4 View

How to make fractions of chloroform extract of plant, using seperating funnel?

28 February 2021 8,466 2 View

Good morning research fellows, Has anyone worked with senna alata plant extract on any kind of fish?

Literatures on the piscicidal effect of sennaa alata is scanty. if you have any related litrature either in the bark, leaves or roots used as treatment to any aquatic organism please kindly help...

28 February 2021 9,138 2 View