except vmd software, what are other ways to transfer all atom to coarse grained via martini tools?
I made a membrane in charmm gui...I didnt pay attention to water box...I did the md run in gromacs .now I want to load poly arginine peptide above the membrane by VMD but i understood that by...
31 December 2017 2,987 3 View
Hi I am studying on cell penetration peptide for a lipid-protein system.in this system my protein is polyarginine R8. i want to simulate that in Gromacs software and i need a pdb of my protein...
10 November 2017 3,050 4 View
hi i work at modeling of thermoacoustic phenomenon in rijke tube with ansys fluent i want to show pressure oscillation in this phenomenon i modeled a tube with 1m length and include just one...
31 December 2015 551 2 View
I want to offer a mechanism for renewable energy production of structures in the deep sea. The structure must be self-sufficient in energy supply. What strategy do you recommend to me?؟ Thank you
31 December 2014 7,033 4 View
I want to offer a mechanism for renewable energy production of Structures in sea with maximum 50m depth.that The structure is self-sufficient in energy supply.What strategy do you recommend to...
31 December 2014 4,042 6 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 2 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 modelled a steel structure using beam elements in Abaqus and attached to this structure reinforced concrete slab. The analysis that I am making is heat transfer of the structure. The...
07 August 2024 1,028 0 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
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
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
Molecular docking software/ websites?
02 August 2024 8,704 7 View
Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer
30 July 2024 3,354 1 View
My screen printed electrode CV is given here. For Nerstean one electron reaction the delta E value should be close to 57 mV and ration of Ic/Ia should be close to 1. I did CV of my screen printed...
30 July 2024 4,671 3 View