I have performed ab initio molecular dynamics simulations (AIMD) using Gaussian program. How to plot RMSD ( Root Mean Square Deviation) plot from MD.out file?
What happens if the media is double autoclaved immediately after the first autoclaving? I am going to inoculate the Trichoderma; will it affect the sporulation of the Trichoderma?
25 February 2024 3,061 0 View
I am working on a project that involves female rats, and I would like to know how to manage the estrus cycle for the female rat model. Thank you in advance.
12 February 2024 4,525 2 View
we were all know for composting process, but due to fowl smell and other not happening problems, people avoid home composting which are required for save of environment? its a very simple and...
19 January 2024 1,474 3 View
My 3d building( 3 storey 6 bay 4 bay) showing very high stiffness and it is a combination of MRF and gravity frames. In place of gravity frames i want to release moment how can i achieve that.
09 January 2024 7,580 1 View
Hi, I'm curious about the exact organelle where ferroptosis takes place. Initially, I thought it was limited to the mitochondria and ER, but after reading a few papers, it seems it might occur in...
21 November 2023 2,194 2 View
If the compound is highly soluble in water and is recrystallised using water miscible solvents
30 September 2023 8,996 1 View
I am currently pursuing my master's degree under the Department of Plant Pathology. I have keen interest to work on Trichoderma and its diversity and exploring up to the species level. But major...
11 July 2023 9,443 0 View
Is it possible to spot AI/chatGPT-generated text?
04 April 2023 388 11 View
I have carried out XPS analysis of Ag based nanocomposite. XRD and TEM analysis confirms the presence of Ag. But it is not showing any peak related to Ag in XPS data. What might be the reason?
01 April 2023 3,241 5 View
I have done the reaction using DMSO as a solvent but it is present in solid. Please suggest how to remove it
08 March 2023 5,072 0 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 1,493 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,726 4 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
Molecular docking software/ websites?
02 August 2024 8,703 7 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,142 4 View
I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...
31 July 2024 631 4 View
Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 780 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 1,089 2 View
Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
29 July 2024 3,083 8 View
How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...
28 July 2024 9,165 2 View