How to get structure and topology for glycosaminoglycan (GAG) of arbitrary length?

Hello all, I want to do glycosaminoglycan (GAG) simulation in Gromacs. Initial structure and CHARMM topology for short chains can be obtained from Charmm GUI glycan modeler. But I have to take...

23 December 2020 6,092 2 View

Have spin-based devices found any appilcation in medical science?

Spin-based devices such as magnonic chips, spin-torque oscillators mostly find their application in signal processing, computing, etc. Is there any research work focusing on developing magnonic...

17 October 2020 3,459 1 View

Does the distance between two atoms in GROMACS can exceed half of the box length?

Dear all, I have done simulation of two carbohydrate molecules in Gromacs with simulation box length of 6 nm. I have corrected the trajectory using trjconv with pbc mol and center flag as used in...

04 September 2020 306 5 View

How to plot Lateral Stress map from lipid bilayer simulation?

Hello all, I want to plot lateral stress map from MD simulation of lipid bilayer i.e I want to plot local stress of bilayer as a function of x and y. Is there any Gromacs module or external...

09 August 2020 3,819 4 View

How to simulate a polymer at micromolar concentration in GROMACS?

Dear researchers, I want to simulate a polymer at micro molar concentration in GROMACS. Whenever I try with simulation box of about 30 nm each side , the force is not converging. Therefore, if I...

01 August 2020 3,297 3 View

What should be the measure of effect size for meta-analysis of efficiency-based studies?

I am planning to conduct a meta-analysis on the efficiency of MFIs from existing literature, restricted to DEA/ SFA based studies. However, most DEA/ SFA based meta-analyses (Thiam and Bravo-Ureta...

30 July 2020 4,534 1 View

All the papers or articles published in Scopus Indexed journals will be in Scopus Database or not????

I want to know whether all the papers published in Scopus Indexed Journals will be in Scopus Database for sure, or scopus will evaluate all papers and take specific paper on their Database Please...

28 June 2020 8,495 4 View

What is sampling error ?

By using Yamane's formula the required sample size was 250; now can I select 300 samples for performing a logistic regression ?

19 September 2019 6,202 8 View

Is anybody in Sweden interested for collaborative Indo-Sweden Research Project?

Warm Greetings! I'm glad to bring to all of your notice that there is a call for collaborative research project funding from the Department of Science and Technology, India entitled "INDIA-SWEDEN...

04 August 2019 2,049 8 View

Why non-technical jobs are more paid at the beginning???

In recent past it has been observed that in most of the cases non-technical peoples are actually earning more than the white collar roles at the beginning of their career in different farms. Is it...

16 April 2019 5,664 19 View

How to increase a model accuracy ?

dear community, my model is based feature extraction from non stationary signals using discrete Wavelet Transform and then using statistical features then machine learning classifiers in order to...

03 March 2021 6,994 5 View

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View

What are the application of Fixed points thoery in Chemistry.?

It is said that fixed point theory has lot of applications not in the field of mathematics only but also in various areas. So I am looking for applications in Chemistry only..

26 February 2021 3,533 1 View

Please. Could you help be in implementing Fractal Discrete Cosine Transform algorithm in Matlab?

I do need the Matlab code of Fractal Discrete Cosine Transform (FDCT). Can anyone who has already implement this code, help me with the implementation of this transform?

24 February 2021 5,602 2 View

Can we recognize signs of the "volatility clustering" property of a time series in its time domain plot?

My purpose is to recognize the volatility clustering property without statistical tests such as The Lagrange Multiplier (LM) test.

24 February 2021 4,150 3 View

Can I ask did any good platform or journals for learning the calcluation on the reference governors and command governor?

Recently I face some problems with the mathematical ( calculation) on the reference governor and command governor, so I need some help from you all to get which platform or journal can let me...

23 February 2021 7,746 2 View

Special issue on PLS-SEM in Mathematics. Are you interested?

21 February 2021 5,601 3 View

What is the better software for approximation of 3D surface with equations?

I have a massive of x, y, z coordinates of 2D surface in 3D space, which builded in Ansys HFSS or AutoCAD. How can I get the analitical aproximation of this surface by formulas?

21 February 2021 3,444 7 View

Can anyone suggest a topic for the Impact of AI and ML in the financial institutions?

I am currently doing my Master Thesis in FinTech and I am thinking of doing my project on the impact of AI and ML on the financial industry but as the impact of these technologies on the industry...

21 February 2021 7,128 3 View

How to calculate the Atomic Polar Tensor using DFT ?

Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...

17 February 2021 9,082 3 View