I want to simulate two different ceramic structures. Each of the structures has a different number of atoms. I divided my simulation box into two parts. Now, in the create_atom section, I don't know how to define three atoms for one box.
Follow this link for your LAMMPS questions.
https://www.lammps.org/mail.html
thanks
Hi there, I have some technical questions during the procedure of GraphVar for my EEG data.I would be happy if anyone can help me with "GraphVar". Thank you in advance for your help. Best, Neda
17 August 2023 821 0 View
Hi everyone, In the GUI, variable section, I created the variable sheet and I encounter an error while I execute it. I have attached screenshots of them. Any help would be really appreciated. Neda
16 August 2023 3,920 2 View
Hi everyone, I am working on EEG data and want to find functional connectivity and finally the graph. Would you please help me with which toolboxes are more useful to do this work? GraphVar or...
15 August 2023 6,837 2 View
I want to enrich the semen and soap vaginal sample in mycoplasma culture medium with horse serum, arginine and phenol red. But I have a problem with how to cultivate. After consuming arginine in...
27 July 2023 2,439 0 View
In research to investigate the expression of genes in breast cancer, which of the housekeeping genes is the best gene for QRT-PCR؟
21 July 2023 3,158 1 View
Hello I electrospun PVA and then heat-treated it. Now, after the heat treatment, the fibers stick to the foil and do not separate. Do you have a suggestion for removing PVA from the foil?
05 July 2023 1,963 3 View
The mathematical function of TPMS unit cell is as follows: (for example Gyroid) sin x * cos y+ sin y * cos z+ sin z * cos x = c parameter 𝑐 determines the relative density of the unit cell. I am...
29 March 2023 2,529 2 View
I stained one cryovial PBMCs according to the CFSE protocol (invitrogen C34570). One day before staining, I thawed the cells and rested them in media (ingredients is below ) for 24 hours. On the...
01 March 2023 4,658 2 View
Hi For hydrophobic drugs, we cannot do drug loading and release in the PBS, and have to use non-aqueous solvents. So this condition is far from the in vivo. What solution do you suggest to solve...
22 February 2023 2,939 3 View
Due to a reaction between Si and Mg during melting in Silicon mold, I am trying to produce Mg-based alloy in quartz crucible, coated with Boron-Nitride spray. Meanwhile, I did not melt composition...
19 February 2023 1,981 0 View
If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...
07 August 2024 5,343 2 View
I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...
07 August 2024 2,598 1 View
Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...
07 August 2024 8,414 2 View
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...
03 August 2024 4,787 2 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...
03 August 2024 3,927 2 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View