Can anyone suggest that how to convert desmond trajectories into gromacs ?

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When training a deep learning model should the validation loss be greater than or smaller than the training loss?

While training a deep learning model I generally consider the training loss, validation loss and the accuracy as a measure to check overfitting and under fitting. And different researchers have...

22 July 2020 4,106 12 View

Who said the 1857 was the first war of independence in India?

It is quite interesting that some of the leading historians of India have never accepted the role of Veer Savarkar and his sacrifices in Indian national freedom struggle. Either he was Savarkar or...

31 May 2020 7,249 1 View

How to extract pair distribution function from XAS (EXAFS) data?

Kindly suggest to me for the extraction of the pair distribution function from XAS (EXAFS) data. Any software for that or any logarithmic code for that.

21 April 2020 123 8 View

How do I compute a coherency and semblance attribute (3D volume) from 3D seismic data?

I want to write a code to generate coherency volume to detect faults in the data . For that I want literatures to find algorithm and concepts or any type of help in this regard.Thank you .

26 March 2020 3,692 6 View

Please explain charge transport mechanism in conducting polymer having metal suphide as fillers composite via energy band diagram / chemical property?

Please explain electron charge transport mechanism in conducting polymer having metal sulfide as fillers composite via energy band diagram / chemical property? We have synthesized conducting...

30 December 2019 9,585 1 View

How to estimate Jsc values for plot Light Intensity (x) Vs Jsc (y) in Perovskite solar cells?

How to estimate Jsc values for plot Light Intensity (x) Vs Jsc (y) in Perovskite solar cells? Please give stepwise formula or calculation to get Jsc data point values for corresponding Light...

30 December 2019 5,439 2 View

Why saturated KCl is added in sample water for pH test?

while performing the pH test for water saturated KCl is added in water sample, what's its purpose and what if we forget to add KCl in water during pH testing?

08 September 2019 1,135 3 View

What is fundamental introduction and principle for p-type or n-type metal oxide semiconductors?

How exactly semiconductor metal oxide nanostructures behave as p-type semiconductor or n-type semiconductor? how these semiconducting properties can be further be improved?

10 April 2019 4,955 4 View

How semiconducting metal oxide works, the fundamentally, basics, charge creation and transportation?

How semiconducting metal oxide works, the fundamentally, basics, charge creation and transportation? how defects in metal oxide produce charge? how metal oxide nano structure conducts electricity?...

10 April 2019 6,088 3 View

What are the best solvents for coating ETL or HTL metal oxide nanoparticles thin films in perovskite solar cells?

22 March 2019 4,733 3 View

Dear all, I was wondering if anyone knows whether MGLtools and Autodock can run on Mac OS?

I have tried to download the 64-bit version of MGLtools however, as many times as I have downloaded and uninstall the programs, an error arises that the app needs to be updated. Thank you.

03 March 2021 5,997 2 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

I got 02 moderator values defining Johnson-Neyman significance regions. Is it an error?

Hi everyone, I am conducting research for my Master's thesis. I am using PROCESS by Johnson-Neyman to analyze my Moderator model. I test the relationship between Public Service Motivation and...

03 March 2021 2,350 2 View

Do I need to do linear regression before running mediation analysis using PROCESS MACRO by Hayes ?

I just wanted to check if I need to run a linear regression separately if I am using PROCESS MACRO to run mediation analysis. Thank you.

02 March 2021 4,359 3 View

Do I need to strip the PVDF membrane before staining it with colloidal gold?

Dear Colleagues, After running Western blot on PVDF membrane and detection using ECL, I would like to stain my PVDF with colloidal gold to be able to allign the ECL image with total proteins on...

02 March 2021 7,829 3 View

PACYC PCR not working after several attempts. Would anyone have any suggestions?

So, I have been trying to run a pACYC PCR which will be used later on for a Gibson Assembly. However the PCR is not working. I have already tried gradient PCR and changing extension time; however...

02 March 2021 1,146 2 View

What SPSS analysis should I run with one IV (with two levels) and two DVs?

Hi, I am trying to figure out which test would be most appropriate to run for the following question: Is there a difference in task blood pressure between smokers and non-smokers? There are two...

01 March 2021 8,235 2 View

OpenBCI eeg--has anyone used them?

I'm looking to try out an off-the-shelf EEG set for some exploratory work. Curious if anyone has used the OpenBCI, and how much set-up work is required. I've heard they are more difficult to get...

01 March 2021 4,128 3 View

Is there any expert in Smart PLS who can help me?

Dear colleagues, I have a manuscript that needs an expert in smart PLS to run the analysis, Is there anyone expert and ready to help me, please?

01 March 2021 8,212 3 View

How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View