28 July 2023 0 4K Report

In my epoxy coating ftir graph N-H group is disappearing but no new C-N or C=N bond has been found. I cannot predict what happened to nitrogen.

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How to extract the yearly cash flow data (not time-series) from HomerPro in Excel? Also how to extract the monthly average electric production data?

I want to plot the monthly average electric production data and cash flow data in another software to get a more clear graph. For this, I need to extract the monthly or yearly data and not the...

11 February 2021 2,740 2 View

Which power-to-heat (P2H) devices do you think are likely to play the most crucial role in the European energy transition?

Power-to-heat (P2H) shows how we can use renewables for heating. Power-to-heat technologies have been on the market for quite some time now, with heat pumps being the most important. However, they...

10 February 2021 9,250 2 View

Do you think it is feasible to have a 100% Renewable Energy-based Electricity System in Bangladesh in the distant future?

In Bangladesh, the proved reserved of natural gas 34 TCF which will lead the country next 20 years and currently 82% natural gas consumed in the power sector for power production. Whereas only 3%...

01 February 2021 251 12 View

How to construct complete 3D structure of a protein from two different PDB files containing two separate portions of the same protein?

Suppose, I want to model a protein's structure (containing total of 350 residues) for which there is no complete experimental structure available. However, I got two different PDB files each...

13 November 2020 9,110 3 View

How do I derive and plot an XRD pattern from a structure derived from a MD simulation?

I have performed MD simulations on a particular system, this is a molecular system in water. Upon simulating I can see that the molecules gain some form of order. I would like to know if it is...

05 November 2020 9,026 3 View

Which parameter can be used to best compare adsorption capacities of different adsorbents?

If I were to compare the adsorption of a given type of contaminant on different types of adsorbents, which parameter would best enable the best comparison? The adsorbates can be either organic or...

14 September 2020 3,592 4 View

How to to MD simulation in gromacs with three ligands?

Gromacs molecular dynamics simulation with three ligands stops at equilibration. Outpu is: starting mdrun 'Protein in water' 50 steps, 0.1 ps. step 0 Step 3, time 0.006 (ps) LINCS...

06 September 2020 6,084 3 View

Which statistical software is more preferable for cluster and path analysis?

I want to know about the statistical software which is user friendly and widely use for cluster and path analysis of the data set.

30 June 2020 2,076 13 View

G_mmpbsa stuck at reading .tpr?

After successfully carrying out a 10ns MD simulation of a protein-ligand complex from gromacs, i use the files obtained from the final mdrun to calculate g_mmpbsa. However, the process is stuck at...

23 June 2020 9,029 5 View

Multiple errors while running 'gmx grompp' ?

I am following http://www.mdtutorials.com/gmx/complex/index.html However, there are multiple errors. After reaching the Adding Ions step (http://www.mdtutorials.com/gmx/complex/04_ions.html), I...

17 June 2020 4,004 3 View

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Adherance of Polyaniline coating over stainless steel?

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How can you bring two structures together to create an adhesive bond in LAMMPS?

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Heat exchanger with liquid Nitrogen as coolant?

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Is there a method of determining feed digestibility without the need to re-pellet the feed?

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How to immerse bricks in wax ( for coating ) ?

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