While performing PCA, to reduce the size of analysis, I would like to analyse only the backbone. For the same I would like to create a trajectory file (.xtc file) of the backbone only. How can this be done ?
I am not refering to the active layer or the emissive layer. It is the topmost coating in a LED
11 April 2024 8,606 2 View
While doing Gradient boosting regression, I am getting the following values for mean_squared_error:8401567843.246913 mean_absolute_percentage_error: 0.20303839201988907 Is the result valid if...
10 April 2024 6,730 1 View
I am curious to learn how we can write a research paper proposing a conjecture? It would be extremely helpful if anyone can enlighten me on this
08 April 2024 5,911 0 View
I am trying to do an experiment on photoelectrochemistry and want to know how we can measure the photocurrent when the LED is on and off. Which chronoamperometry technique I should use?
08 April 2024 8,246 7 View
How do I prepare the sample for an optical microscope in order to calculate droplet size in an emulsion from the image and get a uniform droplet size distribution image?
19 March 2024 7,848 1 View
Hello, I am having trouble finding a method to collapse log fold change data of peptides determined from mass spec that have the same peptide sequence but differ in the number of PTM events. An...
04 February 2024 166 0 View
I have run a 100ns simulation run of my protein, but I would like to know about the initial atomic velocity that is assigned. Below is the md.mdp file that was available from the GROMACS tutorial...
19 December 2023 4,710 2 View
Hello, I am using a dataset that has various variables in currency, values, counts, and percentages. To bring them all to one level I understand I need to take the log values. However, since...
06 December 2023 9,609 2 View
There is a growing trend in research articles' authorship varying from five in number to anywhere around 15 which I have noticed. How are these articles cited in-text (as the general rule was to...
16 November 2023 9,677 4 View
Are edematous stroma and scattered mononuclear inflammatory infiltrates indicative of altered histology of prostate glands?
02 November 2023 7,421 0 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