Satnam Singh

19 Questions 15 Answers 0 Followers

Questions related from Satnam Singh

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

05 May 2018 4,188 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

05 May 2018 8,159 0 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

11 November 2016 510 2 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,...

11 November 2016 9,662 3 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

11 November 2016 1,336 1 View

How we can calculate order of convergence of a function?

how we can calculate order of convergence of hankel transform?

11 November 2016 9,079 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

11 November 2016 6,892 0 View

What are apolar molecules?

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

05 May 2014 3,737 0 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...

05 May 2014 1,785 4 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...

03 March 2014 4,739 4 View

Can anyone help with extracting a solvent or solute from a pdb file?

I have a pdb file. It is a mixture of alpha- tocopherol and a protein. I want to extract only the alpha-tocopherol. When I delete protein entries then there is a problem in the file. Please help...

12 December 2013 2,168 5 View

How can one use Martini coarse grained mapping for resonance structures when multiple structures exist?

My question is related to mapping into martini coarse grained model. I am having a problem doing this when multiple structures exist. For example, with alpha tocopherol I have faced this type of...

12 December 2013 4,779 0 View

What is bead definition in VMD?

I am using coarse grained builder in VMD software. In residue based CG mapping, there is an option for bead definition. I am confused as to how to proceed and appreciate any suggestions. Thank you.

12 December 2013 7,634 1 View

How to create a .cgc file in VMD?

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

12 December 2013 7,663 0 View

Related to conversion from all atom to martini coarse grained structure

I want co convert all atom to martini coarse grained structure of curcumin. I have all atom structure of curcumin kindly help me to convert it...I shall be thankful to you for this..

09 September 2013 2,212 3 View

Does anyone have experience with conversion of .sdf format to .pdb format?

I have to downloaded sdf file of Benzene from RCSB.org . I have to convert it into pdb file . I have tried AVOGADRO and Open Babel . After conversion I get .pdb file. But in that file building...

07 July 2013 5,113 6 View

DPPC+D2O simulation (problem related to gro file of surfactant(SDS))

I have to simulate DPPC+Water. For that I am using a surfactant SDS. I have downloaded .itp file of surfactants. But I need a gro file(coordinate file). How I get that file for SDS?

06 June 2013 3,900 4 View

How does one create an .itp file of a molecule?

I have a molecule decane 1-thiol. I have to create its .itp file because I have to include it into .top file. Can someone please give me tips on how to do that?

06 June 2013 6,985 12 View

I have to simulate DPPC with heavy water (D2O)

Can anyone advise how to modify the water model and which force field is used?

05 May 2013 8,265 0 View