I have to create .cgc file for vitamin E in VMD. Kindly help me to create it. I need literature for it. Thanks in advance
Dear all, I have a quarry regarding the temperature effect on the pi-pi interaction. Thank you
04 May 2018 4,220 1 View
Dear all, Can anyone refer me the literature about the effect of the pi pi interaction on the free energy of solvation. Thank you
04 May 2018 8,181 0 View
What are the advantages for the algorithm based on compactly supported orthonormal wavelet bases
10 November 2016 6,918 0 View
Atime-series database stores sequences of values or events obtained over repeated measurements of time (e.g., hourly, daily, weekly). Examples include data collected from the stock exchange,...
10 November 2016 9,691 3 View
I need to find order of convergence of a method How to find it
10 November 2016 544 2 View
how we can calculate order of convergence of hankel transform?
10 November 2016 9,110 0 View
10 November 2016 1,365 1 View
I want to ask one question related to data processing in Topspin. I done 10 1-d diffusion experiments. Now I have to find the area under one peak(in all spectra) and then I have to plot it. After...
04 May 2014 1,859 4 View
What is an apolar molecule? There is a special category in MARTINI coarse grained force field.
04 May 2014 3,765 0 View
I have to study diffusion by gromacs. I want to calculate full tensor of diffusion coefficients. I am using "g_msd -ten". But it is giving me only one value. I want to ask that my command is...
02 March 2014 4,775 4 View
I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...
08 August 2024 8,329 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, 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
I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...
04 August 2024 1,200 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
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
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 781 1 View
I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...
30 July 2024 6,420 1 View