This question is related to the subject of Non-linear dynamics.
I have done NMR analysis of exopolysaccharide samples. I have to identify the monosaccharide composition and the functional groups the NMR peaks corresponds to. Since, my EPS is unknown i am...
15 May 2024 7,631 1 View
As shown in the attached picture, I am trying to connect two adjacent panels using Hinge connectors (CONN3D2 elements) with zero width and constant torsional stiffness. I wish to connect the...
06 February 2024 423 1 View
Equation of Gibbs free energy G=∆E-ZPE-T∆S How finds the entropy and ZPE
08 January 2024 9,593 0 View
How can we demonstrate the efficacy of multimodal composing in enhancing writing skills, particularly in the context of academic writing, given the prevalent skepticism surrounding its...
07 December 2023 9,409 1 View
when can it be used in corporate finance research?
27 November 2023 2,906 1 View
When i use quinolinic acid in inreasing concentrations along with blank serum, the standard curve is surpisingly negatively linear! Expected linearity is reverse for this. However other standards...
18 October 2023 5,659 0 View
When i make a stock solution of d5- kynurenic aicid (1 mg/ml), the solution is turbid and not clear. Inspite of sonication in water bath with mild heating, the suspension is not clear. Can i...
18 October 2023 9,790 0 View
CIF file for rietveld refinement of Na4VMn(PO4)3 XRD data, using GSAS software if you have it, please provide me. Thank you in advance.
08 October 2023 7,038 3 View
A young child would describe a robot as a human kind, who does lots of mechanical work, uses its brain, talks back etc. How will that child understand the difference between a robot and...
13 September 2023 211 1 View
I am trying to update parameters of Bayesian neural network using HMC algorithm. However I am getting the error shown below: ValueError: Encountered `None` gradient. fn_arg_list: [] grads: [None]
19 July 2023 5,686 1 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
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
I have used Prussian blue nanoparticles as a redox couple. The PBNPs have been made using only one salt precursor. Also, during scan rate studies, a small oxidation peak can be consistently found...
31 July 2024 9,697 0 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
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 3,084 8 View
If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...
28 July 2024 673 3 View
I want to study the thermal properties of a mixed system which is constructed by virtual crystal approximation in VASP. When I try to run the ab initio Molecular Dynamics of this system in VASP, I...
19 July 2024 6,569 3 View
Hello, I'm trying to create parameter and coordinate files for a drug (PRG-A01) found on the following page: http://www.probechem.com/products_PRG-A01.html I used the guide made by Michael...
17 July 2024 3,472 3 View
Dear Gromacs users, I would like to simulate a zeolite-water system. In different literature, it is suggested to consider a rigid framework of zeolite to decrease the computational cost. I would...
15 July 2024 4,590 1 View
I have identified specific medicinal plant facing rapid decline in population due to population pressure, overutilization, unsustainable harvesting and limited distribution. What can be the best...
15 July 2024 6,599 2 View
