How to create a .cgc file in VMD?

12 December 2013 0 8K Report

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

Badges
Science topic

More Satnam Singh's questions See All

What is the effect of the temperature on pi-pi interaction?

Dear all, I have a quarry regarding the temperature effect on the pi-pi interaction. Thank you

04 May 2018 4,220 1 View

What is the effect of the pi-pi interaction on the free energy of solvation?

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?

What are the advantages for the algorithm based on compactly supported orthonormal wavelet bases

10 November 2016 6,918 0 View

Difference between time series algorithm,association algorithm sequence clustering algorithm in data mining?

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

Anyone working on Hankel Transform or convergence analysis please help its urgent ?

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 a function?

how we can calculate order of convergence of hankel transform?

10 November 2016 9,110 0 View

What are the advantages for the algorithm based on compactly supported orthonormal wavelet bases?

What are the advantages for the algorithm based on compactly supported orthonormal wavelet bases

10 November 2016 1,365 1 View

Can anyone help with 1d NMR data processing in topspin?

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 are apolar molecules?

What is an apolar molecule? There is a special category in MARTINI coarse grained force field.

04 May 2014 3,765 0 View

Can anyone help with diffusion tensor by gromacs?

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

How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

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

Gromacs first step of minimization ?

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

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

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

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 4 View

How to Add Missing Water Molecules in Protein-Membrane Simulations?

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

How to start a Molecular Dynamics Simulation?

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

Which will be the best software for the Hydration shell analysis with molecular dynamics?

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

Can anyone provide me with molecular docking softwares/ websites?

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?

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

Inquiry on Maximum Nucleic Acid Volume for 2.5 mL Liposome Solution?

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