please explain .
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
A simple GPU algorithm for finding triplet correlations accelerated on CUDA. Please follow the link.
04 May 2015 2,963 0 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
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
We assume that the difference is huge and that it is not possible to compare the two spaces. The R^4 mathematical space considers time as an external controller and the space itself is immobile in...
10 August 2024 6,678 14 View
Is this circle one of the rings?
03 August 2024 5,988 0 View
Hello! I have this scale which had 10 items initially. I had to remove items 8 and 10 because they correlated negatively with the scale, and then I removed item 9 because Cronbach's alpha and...
01 August 2024 4,606 7 View
Just bounced on me. Before statistically analysing significant difference, shouldn't we see if data fits normal distribution first? Is 3 replicates enough to testify the hypothesis of normal...
31 July 2024 8,141 13 View
Does anyone know of a module for the JAMOVI software that is capable of generating mean separations using the classic letters based on post hoc results (e.g., Tukey test)? If, as I believe, such...
31 July 2024 3,333 4 View
I am new to Micromechanics and having similar problem with understanding the implementation of the formula's. I would appreciate if anyone can guide me on how to go about getting a scalar value...
30 July 2024 969 0 View
I want to draw ph diagram using Engineering equation solver EES for refrigerant R134a and R1234fy and some other. I don't know how to draw the multiple ph diagram on same dome or overlapping to...
30 July 2024 647 7 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
Please, what is the memory consumption of the Matlab function quad tree decomposition procedure [S = qtdecomp(I)] with respect to the input set I?
27 July 2024 5,455 2 View
all math can be traversed by code? all math can be translate to code?
26 July 2024 9,530 0 View
