What is difference between In-line transmission (%) and Total transmission (%) value of optically transparent Ceramics?

I am working on transparent/translucent zirconia-based ceramics. In many papers, I have seen that they are reporting both In-line transmission (%) & Total transmission (%) value of...

20 February 2021 9,405 6 View

Access to supercomputer resources in India?

Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...

15 February 2021 8,264 3 View

Do we have any empirical model to model the combined effect of carbonation and chloride attack in concrete concerning climate change?

Do we have any empirical model to model the combined effect of carbonation and chloride attack in concrete concerning time-dependent temperature, relative humidity and concentration of carbon dioxide?

08 February 2021 4,277 1 View

Can I use video interview excerpts from others in public domain (YouTube, Vimeo, etc) for my empirical analysis?

Dear community, I am currently writing my master's dissertation. As a part of the method, I have to include views (interview) of experts for the empirical analysis. The problem is I have not...

31 January 2021 3,438 3 View

Does AMBER or CHARMM force field parameters have coarsed grained side chain parameters?

I need to coarse grain the side chain with a single atom. However, what force field parameters do I have to use. Does AMBER or CHARMM have any parameters and partial charges for coarse-grained...

31 January 2021 7,091 3 View

Where can I read the force field parameters of amino acids and protein ?

I am a beginner in the field of molecular dynamics and biochemistry. I need the parameters such as van der Waal radii, partial charge of each amino acid. How do I read directly the parameters from...

20 January 2021 3,541 3 View

Can anyone clarify what is the difference between 'R' software statistics and SPSS Statistics?

I recently learned few things about 'R' programming language. It is open source / free platform in many aspects. R helps to descriptive statistics, inferential statistics, multivariate...

17 January 2021 1,089 20 View

Does anyone know what is the minimum variables required for standard deviation? and why large datasets is considered as reliable data?

For Descriptive statistics, we usually find out mean, median and mode as well as standard errors and standard deviation. Almost in research articles, I can see mean with standard deviation only....

10 January 2021 4,913 3 View

For mineral / compound characterization studies like FTIR, SEM, XRD, how many replicates should be taken for data analysis?

If we do some spectroscopy technique for only one sample, is it enough for data analysis or we have to do multiple samples from each treatment for getting authenticate results to publish in...

09 January 2021 5,896 2 View

What is the use of Carbon and Proton NMR Spectrum in Peptide Analysis?

Am in Peptide / Protein Research, may i know what useful analytical information we are getting from 13C & 1H NMR spectroscopy analysis? Somebody getting NMR for smaller proteins, any useful...

05 January 2021 1,196 7 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

Is there any test to determine the cardiovascular risk of patients with obesity? from the perspective of obesity?

We found tests to determine cardiovascular risk taking into account lipid profile, blood pressure, age, history of diabetes, other laboratories. But when weight is involved, there is a paradox. I...

02 March 2021 6,036 1 View

No title

02 March 2021 3,060 3 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View