Hydrogen bonding restraint in gromacs ?

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The NAC has introduced new accreditation system for HEIs. Will it dilute the process? Do you think that HEIs can take advantage of it?

Binary Accreditation System

15 April 2024 6,511 1 View

Do anyone have the R-script for analyzing POOLED data of multiple years or locations under SPLIT-PLOT design?

As we know pooled analysis is done to find out the significant different among treatment across the years/ locations. But, I am unable to analyze it for split plot design for analyzing my data. Do...

21 March 2024 1,491 2 View

What is DOI and How to create ?

I want to add few articles published in many journals. It requires DOI. how to create it as I dont have it.

07 March 2024 3,315 3 View

Can someone please share the CIF file for the MnFe LDH structure?

Dear All I want to explore the properties of manganese-iron layered double hydroxide (LDH) structures and am in need of the CIF (Crystallographic Information File) for the MnFe LDH structure. If...

13 February 2024 2,259 0 View

How can we implement any authentication scheme proposed?

Also, I would like to know how can I proceed with learning the usage of Proverif2.0, RoM and BAN Logic for a particular proposed authentication scheme.

09 February 2024 9,762 3 View

Can any please help me how to use goertzel algorithm to detect particular frequency?

I am trying to design ILS (Instrument Landing System) glideslope receiver board, now I am first implementing MATLAB code to detect 90 and 150 HZ frequency here how I have to implement Goertzel...

31 December 2023 8,310 1 View

Could you please advise on the optimal amount of exopolysaccharide to extract from a 500 ml bacterial culture?

12 December 2023 9,479 0 View

Please suggest that DOAJ index medical journals that are low-cost and have a fast-track publication method ?

13 November 2023 7,950 0 View

Non-linear optical properties from DFT calculation?

I'm currently using Wien2k toolkit as per current DFt software for my first principal study, so tell me how can I calculate non-linear optical properties like EO coefficient, kerr effect and many...

05 October 2023 5,435 0 View

How are the silane solution stabilised?

Dear all, we know that silanes are prone to hydrolysis, hence if one wish to store a silane solution say 2% , how can we acheive this. I guess that we must have a properly dry solvent free from...

27 September 2023 9,397 1 View

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,597 1 View

Why results of ROS flurescence are negative as there was no bacteria within?

Hello. I am working on ROS production of two systems: system A is cerium oxide and hydrogen peroxide, system B is cerium oxide nanoparticle, hydrogen peroxide and potassium bromide. I did some...

04 August 2024 5,973 3 View

How to Transform my handy-wavy explanation of why group I/II metals oxides in aqueous solution are basic into a rigorous argument?

I heard an explanation about something being a better proton acceptor or lone pair donor but that doesn't make sense. I couldn't explain in in terms of acid-base theory. The hand-waving way I saw...

03 August 2024 9,917 0 View

What is the ionic radius of Hydrogen anion? And how to know the exact ionic radii of the elements?

I'm trying to calculate the tolerance factors of the hydride perovskite and the value calculated by me and the reported values are contradictory. Need more clarity in using the correct ionic radii...

01 August 2024 2,613 1 View

How to make the concentration measurements for the hydrogen absorption/desorption in the metal hydride?

Hello Everyone! I am trying to create a metal hydride system where I am trying to create a temperature control with the emphasis on measuring the concentration of the hydrogen with the hydrogen...

29 July 2024 7,576 2 View

How to restart MD without using checkpint file in GROMACS?

Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar

29 July 2024 3,083 8 View

What change would occur in physics if the three different sizes of the proton and the two sizes of the deuteron accepted as new physical constants?

For people today, the enigma of the size of the proton still remains enigmatic. However, being myself a researcher in new physical theory which makes it possible to extend the different standard...

28 July 2024 7,822 1 View

How to prepare a molecule for molecular dynamics calculations?

If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...

28 July 2024 672 3 View

Optimal siRNA Volume for Complexation with Liposomes in a 2.5 mL Solution with 10 mg/mL Lipid Concentration?

How much volume of siRNA can I add to 2.5 mL of liposomes with a total lipid concentration of 10 mg/mL?

27 July 2024 6,920 1 View

What is the right voltage sweep direction for characterization of HER kinetics?

In general, when performing a Tafel analysis for corrosion resistance measurements, a line voltage scan is performed from say -250 to +250 mV vs. OCV at low scan speed around 0.125 mV/s. However,...

25 July 2024 7,982 3 View