How to calculate the acceleration/velocity of different molecules in an MD Simulation?

Hi, If I am performing an MD Simulation in which the two groups/molecules are moving in a direction on applying a force on the system, how would I calculate the velocities/acceleration of the two?...

08 February 2021 9,525 4 View

Student writing his own Learning Outcomes - is this the way forward?

'Students just dont want to study; they are here to waste time!' I have heard this phrase many times; so are the students solely to be blamed? We will find many students who just dont seem to...

04 February 2021 8,546 22 View

What if we go for one single global currency?

What if we go for one single global currency? than every country has its own currency. Currency exchange commission etc. (Advantages/Disadvantages)

04 February 2021 8,937 3 View

Conflict resolution at socio-economic disparities?

Conflict resolution at socio-economic disparities? Two-way honest approach driving through varying characterized bi-parental upbringing, that further leads societal interactions into one to one,...

14 January 2021 7,589 1 View

Socioeconomic loss vs gain?

Considering the majority of the population, as if, they do not know as to what is their strength. This perhaps is due to their considerably lesser exposure to various possibilities, as a result...

14 January 2021 8,720 2 View

Data misrepresentation and Ignorance of socio-economic factors?

Do you think the majority of developing, underdeveloped, and even the developed countries lack in capturing the finer elements of behavioral data generated at various interactive and reactive...

13 January 2021 3,241 2 View

Is recycling a challenge to the governments of developing countries?

Is recycling a challenge to the governments of developing countries? A strong will for more serious aggressively organized recycling initiatives, embedded with strict regulations supported through...

12 January 2021 510 13 View

Variant or strain, what exactly happened to the corona virus ?

The new, more contagious variant of the virus that causes COVID-19 which initially detected in the U.K. and has now been spotted in many of the country. While some have referred to this as a new...

11 January 2021 8,810 5 View

The hospitals reported rise in ICU admissions of young COVID patients - Is the new strain of COVID to be blamed?

05 January 2021 3,141 12 View

What are those FACTORS that strongly suggest that the same workers come from India to GCC have played noticeable role, but why not in India?

Research is needed to identify the factors responsible for not so well utilized workforce for the development in India when the same workforce have played a role to obtain strikingly visible...

04 January 2021 8,548 2 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

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

Is There Any Feasible Method To Test Fluorescent Compounds Other Than Fluorescence Spectrometers ??

Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !

02 March 2021 5,785 3 View

Why Austenite grains in steel show much more twinning than ferrite grains?

It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...

02 March 2021 728 2 View