converted .gbw file to .molden.input using orca_2mkl. I gave the file to multiwfn and got segmentation fault after "generating density matrix.."
Please help.
We intend to study the interaction between peptides and polymer (like PP, PE and PS) through MD simulations using Martini force fields ( Martini 2 for PP and Martini 3 for PE, PS). We have...
08 August 2024 4,842 0 View
A fungal strain was treated with nanoparticles. We want to do an environmental SEM analysis. So could anyone share your views on preparing the sample? Thank you.
07 August 2024 5,307 1 View
Is any specific sample preparation required to perform VSM measurement of NdFeB alloy powder to get a square-shaped M-H loop? Or is it mandatory to make magnetically aligned and sintered pellets...
09 July 2024 1,969 0 View
I am working on one protein which gets aggregated (similar to alpha-synuclein and tau) in certain neurodegenerative diseases. I am trying to confirm the aggregation using Western blotting....
30 June 2024 5,060 3 View
I know the work function and band gap of each monolayer and heterostructure. I calculated mulliken electronegativity(X) of Sc2CO2 and Bluep. From that i found Ev = X- 4.5+Eg Ec = Ev-Eg, where Eg...
28 June 2024 9,360 0 View
In AHP (Analytical Hierarchical Process) using 9 criteria, when I use a a scale of relative importance (1-9), I am getting a higher lambda-max and hence an inconsistent Consistency Ratio (>.10)...
16 June 2024 1,228 1 View
I THINK PLEASE GUIDE ME ANY ONE....? The "weak" Goldbach conjecture posits that every odd number greater than 7 can be expressed as the sum of three odd primes. It is termed "weak" because it is a...
07 June 2024 834 0 View
I have heard from my senior scholars that we can't use a non-validated scale to measure variables in a correlational study. Is it true? Can anyone help me with finding a reference for the same.
05 June 2024 7,851 4 View
Any latest method developed
24 May 2024 2,128 1 View
Quality Infrastructure ( QI ) has been established across the globe to create a mechanism for independent third party assessment of products, services and processes. It plays a pivotal role at the...
16 May 2024 4,703 10 View
The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...
07 August 2024 9,934 3 View
Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out
07 August 2024 6,066 0 View
The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.
07 August 2024 9,508 1 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 0 View
Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance
04 August 2024 5,613 1 View
Hi everyone I need a file with a dirty and clean potato image
04 August 2024 7,199 4 View
How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...
30 July 2024 3,229 2 View
Difficulty with permittivitt and Magnetic Permeability Calculations Hello everyone, I have all the parameters related to the calculations of the permittivitty and magnetic permeability...
30 July 2024 5,206 1 View
i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...
30 July 2024 1,607 1 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View