A simple GPU algorithm for finding triplet correlations accelerated on CUDA. Please follow the link.
http://www.nvidia.in/content/EMEAI/images/tesla/tesla-case-studies/pdfs/VOC-IITD-FINAL.pdf
How can we access the information on the atom indexes involved in a given collective variable. I can see that it is possible to access this information in colvar and analysis classes. But is it...
03 April 2019 7,259 2 View
1. What should be non-bonded interaction parameter for the atoms of the wall? 2. How to ensure its correctness? Thanks
10 November 2016 6,454 0 View
I am simulating a system consist of ~2000 atoms. I have checked on different machines but the result is same. Any guidance will be helpful.
03 April 2016 2,272 6 View
I have two groups of atom of moving particles. So how can I put the distance constraint, without making them rigid.
02 March 2015 5,744 0 View
Please explain with proper reasons... Thanks.
01 February 2015 6,758 7 View
please explain .
01 February 2015 6,067 0 View
What are the general equations for a conic selection. I want information about the atoms present in a conic volume of given radius and height. Please explain.
01 February 2015 1,864 3 View
In thiosulphate, two sulphurs have oxidation state of -2 and +6. (as per suggestions). Sulphur bonded to three oxygen is considered to have +6 (Sulphur A) and other sulphur has -2 (Sulphur B)....
01 February 2015 4,473 7 View
I am using Nvidia's K20x cards on my machine. I am facing some problems in using lammps gpu enabled version upto its full efficiency on GPU-node. The main role of the gpu is to save the time...
01 February 2015 3,795 1 View
Nitration of Aniline in Conc. H2SO4 and HNO3, we can understand the formation of both para and meta nitro aniline. But what is the reason for the poor yield of ortho nitro aniline?
10 November 2014 2,146 7 View
I would like to learn more about SPSS and Its application especially in regards to data analysis. Please suggest me how I can learn more about it. Thank you so much.
11 August 2024 9,101 4 View
I have reverse sequences (AB1 format), can I base on reverse DNA sequences to perform nucleotide alignment, convert nucleotides to amino acids and deposit the sequence in GenBank database?
11 August 2024 5,138 1 View
Hello, Why do i see this baseline drift when i compare my blank (black) to the sample (blue)? Any suggestions as to why this happened? Thank you!
11 August 2024 3,770 4 View
Willett, Shenoy et al. (2021) have developed a brain computer interface (BCI) that used neural signal collected from the hand area of the motor cortex (area M1) of a paralyzed patient. The...
10 August 2024 7,180 0 View
I'm currently exploring the application of Python in textile engineering, specifically in areas like data analysis, process automation, and the development of smart textiles. I'm interested in...
10 August 2024 7,429 2 View
How can I use the cif data obtained from rietveld refinement extracted via gsas2, for microstructural analysis using ETEX software?
09 August 2024 7,718 0 View
I read an interesting article from Christensen (2007): A Monte Carlo approach to unidimensionality testing in polytomous rasch models. But do you have some further thoughts or maybe other...
08 August 2024 4,245 0 View
Let's say we have a standard, regular hexagonal honeycomb with a 3-arm primitive unit cell (something like the figure attached; the figure is only representative and not drawn to scale). The...
07 August 2024 1,937 1 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
Hi, I have a question about normalizing the MTT OD values for doing the statistical analysis. So, if we have 3 different plates and we call them 3 different replicates, so, first we would...
07 August 2024 8,106 4 View