How make an index for gmx gangle?

13 September 2018 0 2K Report

Hi,

I want to calculate the 1- angle between slab surface plane and water molecule plane 2- angle between OH vector of water and slab plane.

How should i define OH vector, HOH plane and surface plane in GROMACS?

Best

Badges
Science topic

More Roja Rahmani's questions See All

Does participation in voluntary environmental activities during youth correlate with a sustained interest in environmental preservation in middle age?

to what extend it is good to encourage the youth to act as environmental activists in order to have climate corps in the future at decision making level.

26 April 2024 6,243 3 View

What factors are most critical for successful adaptation of advanced Climate Smart Agriculture techniques?

Specifically, the advanced technologies such as sensors and internet of things.

20 April 2024 5,319 2 View

How can i untroduce Ethanolic extract in dairy food ?

How can I introduce a 100% ethanol extract into a dairy product knowing that when I evaporate the ethanol, I obtain a dry extract that is insoluble in water and soluble in DMSO?

19 March 2024 223 2 View

I am seeking guidance on how to confirm whether my bacterium belongs to the genus Lactococcus rather than Enterococcus?

Dear colleagues, I am seeking guidance on how to confirm whether my bacterium belongs to the genus Lactococcus rather than Enterococcus before proceeding with molecular identification. Are there...

15 September 2023 7,261 1 View

What is the best text mining algorithm for identifying emerging patterns?

Hello everyone, I want to find emerging pattern of blockchain applications in cybersecurity . I’ve collected and filtered my dataset which now consists of 1183 research items indexed in WoS and...

07 June 2023 3,197 4 View

Does AI have any connection to law and ethics? in which ways? how?

AI is a growing matter nowadays which affects our lives in several different ways and becoming an inseparable part of our activities. are there any legal challenges through having AI around?

27 April 2023 6,784 3 View

Hi everyone! I need coastline winds data for two Japanese cities in order to make sea breeze simulation model, the sentinel 3 doesn’t cover the area?

I want to make a sea breeze simulation model for that I have the land serface temperature data, sea surface temperature data. for the next step I need the coastal wind data to do the simulation...

19 April 2023 4,427 0 View

Is it possible to publish research propositions in tourism journals?

Hello everyone me and my colleague prepared a manuscript including research propositions. Can these manuscripts publish in any journals? What type of manuscript is this? Opinion, viewpoint,...

30 March 2023 2,599 1 View

What are the major problems associated with the elaboration of a good literature review in writing a Master dissertation??

This question tries to delve into the obstacles encountered by Master students when writing a literature review. In other words, are the challenges purely methodological or are they related to...

29 March 2023 6,848 4 View

Hydrothermal synthesis of g-c3n4 quantum dots using urea and sodium citrate?

i want to synthesize the g-c3n4 quantum dots with bottom up hydrothermal method using urea and sodium citrate but i just find a paper that reported only amount of material and temperature (urea...

07 March 2023 9,991 0 View

Stability of the Solar System: Insights from Einstein’s Equations ?

The stability of the Solar System is a complex subject that blends the classical framework of Newtonian mechanics with the modern insights provided by General Relativity (GR). Understanding this...

07 August 2024 2,569 1 View

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,598 1 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...

06 August 2024 1,495 2 View

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 4 View

How to start a Molecular Dynamics Simulation?

Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...

03 August 2024 3,371 3 View

How to load and plot 2D-PIV (particle image velocimetry) recorded velocity vector field in Techplot?

Dear Researchers I need to know, how to load and plot 2D-PIV (particle image velocimetry) recorded velocity vector field data in Tecplot? Thank You

02 August 2024 3,615 1 View

Which will be the best software for the Hydration shell analysis with molecular dynamics?

I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?

02 August 2024 3,143 4 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

Transfection in HEK293T cells?

Dear All, I am trying to transfect a pCDNA3.1 vector containing my gene of interest. The purpose is to figure out the localization of the protein of interest. I have fused the protein with GFP on...

31 July 2024 9,892 4 View

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out?

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...

31 July 2024 781 1 View