How to perform Brownian dynamics simulation with gromacs?

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Which DL architecture is better to work on handwritten data?

I am working in the area of Handwriting recognition for Bangla. As there are many DL architecture, I am confused which one to select.

15 February 2021 4,996 1 View

Do you have any experience of taking astaxanthin supplement?

Astaxanthin is a keto-carotenoids having reddish color. It occurs naturally in certain algae and causes the pink or red color of different seafood especially salmon, shrimp, trout, and lobster....

29 January 2021 7,861 2 View

How to remove/reduce Back Reflection from Objective?

I want to have a optical system where, I focus a beam onto the BFP of a microscope objective. Unfortunately, I always have a strong Back Reflection from the objective. Can anyone suggest me some...

18 January 2021 2,062 8 View

How to calculate binding energy and different interactions from a pdb file of protein-ligand complex?

I have done a docking study by using mcule.inc web-service. I got the .pdb file of my protein-ligand complex from there. As I am using a free student account, I don't have access to more...

14 January 2021 2,321 2 View

Why there is no increase in virus titer after 24 hour of seeding for harvest?

I am working on virus production through bioreactor,my concern is regarding ,no increase in virus titer after 24 hour of seeding for harvest Usually we seed the fermenter and incubate for 72...

05 January 2021 3,860 2 View

How to optimise or tune the hyperparameters of Gaussian Process Regression?

I am working with the algorithm Gaussian Process Regression. I used gaussian process regression module from scikit learn library of python. But I couldn't correlate the hyperparameters of Gaussian...

24 December 2020 4,864 4 View

Can you suggest me how can I use D2O for dissolving chitosan sample for NMR analysis?

I am trying to dissolve chitosan with pure D2O but it is not dissolving. I read some articles that used D2O for dissolving chitosan before 1H and 13C NMR analysis? Do I need to do some...

14 December 2020 6,931 5 View

How many chapters (objectives) are necessary for a standard Ph.D. thesis?

This question is focused on biological, chemical, and material science. I think the answers also will help the future Ph.D. students for writing a good Ph.D. research proposal.

10 December 2020 2,090 34 View

Running a Kruskal-Wallis test on a large sample with a likert scale on excel?

Hi everyone, I would like to run a Kruskal-Wallis test on a large sample with a likert scale. I am having difficulties figuring out how to process with the ''rank_avg'', and rank sum with such a...

05 December 2020 793 3 View

Can someone help me with a code for R software for principal component analysis and even tell me how to arrange the dataset?

I am having a biparental mapping population of rice with dataset of various morphological and post harvest parameters from F6 and F7 and 6 checks in augmented block design.

17 November 2020 6,272 4 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

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

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

What is the characteristic length to determine the Reynolds number for the scattered turbulent fluid flow?

Dear all, I just saw this example in FB on the difference between laminar flow and turbulent flow. The flow from a pipe hits the sink and scattered. The flow from the pipe is characterized as...

02 March 2021 1,999 5 View