What is a suitable time step for MD simulation of protein-ligand complexes?

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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

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

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

What are the advantages/disadvantages of organic HTL or metal oxide HTL in perovskite solar cells?

what are the advantages/disadvantages of organic HTL or metal oxide HTL in perovskite solar cells?

22 March 2019 1,774 1 View

What is the best way to deposit metal oxide (ETL or HTL) thin film using aqueous salt solution of metal salt or NPs dispersed solution on TCO in PSC?

What is the best way to deposit metal oxide (ETL or HTL) using aqueous salt solution or NPs dispersed solution on TCO? The thin film quality of ETL or HTL on TCO is imp. Since Visible light enter...

22 March 2019 8,465 3 View

How to calculate the structure size in semiconducting metal oxide nanostructure from their XRD data or structural parameters information ?

How to calculate the structure size in semiconducting metal oxide nanostructures from their XRD data or structural parameters information ? What is mean by the structure size exactly?

14 March 2019 6,618 23 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

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

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

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 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