How to run a global minimum search in GMIN?

30 October 2018 1 7K Report

Dear colleagues,

I am trying to search for boron-aluminum clusters global minima using GMIN code developed by Wales group. Could anyone help me please with the input file? If there are alternatives which could be easier to use, I would also be happy to learn about them.

I would appreciate any help with this topic.

Nikita.

Nikita Fedik

Shafagat Mahmudova

Thank you for the response. I have already read this manual but unfortunately did not find anything very helpful.

Badges
Science topic

Similar topics
Filing

More Nikita Fedik's questions See All

I have genotype gvcf of 30GB , which is causing an issue in analysis. I was wondering if there is a way to get around the size issue ?

I have a genotype gvcf of significant size, which is causing an issue in analysis. I was wondering if there is a way to get around the size issue and run the genotype gvcf in R or do I need to...

09 February 2021 4,178 4 View

Can anybody please give me idea about the complete procedure to estimate state of charge of the battery through hardware setup?

I am working on SOC estimation of battery for EV's, I want to extract the real battery data through the experiments on battery, so i want to know what exactly the equipment's i need to perform the...

22 January 2021 8,216 2 View

Column chromatography. Problems with pH - why?

What if in column chromatography with solution (neutral pH) acidic pH is observed and remains along the whole process? What went wrong and what to do with this?

10 April 2020 5,587 4 View

CFD in Fluent: Modeling Pipe with Artificial Roughness. How do I choose proper turbulence model and mesh properities?

I'm currently working on a research of thermal-hydraulic performance of artificially roughened pipes using Ansys Fluent. I have a 2D model of pipe section (upper boundary is wall with rectangular...

24 March 2020 623 3 View

What algorithm or program is better to use in case of stitching .las files from different sources?

For example i use Leica RTC360 scanner for terrestrial data acquisition and i like to perform a stitching with point cloud gathered from UAV photos (not lidar). What is the best way to do so? I am...

03 March 2020 9,471 3 View

Can the Thermo TriTrack dye give me a reading at 473 nm on a fluoresence plate reader?

I am getting a background dye reading at 473nm. Does this dye give a reading only under UV or is getting this background reading normal?

24 February 2020 9,426 1 View

While doing the surface sterilisation of roots and stems of ferns, there is a growth in the final wash i.e. control. May i know the reason behind it ?

Sodium hypochloride and Ethanol have been used for surface sterilisation. May I know any alternate methods for surface sterilisation?...

05 January 2020 9,237 2 View

How does one analyse the likert scale in the most simple way possible?

I am an undergraduate student currently working on a group mini-dissertation. (forgive me for the rudimentary knowledge I have) We're studying the co-relation between peoples' attitudes toward the...

27 August 2019 7,734 2 View

How to implement physical layer attack detection for cognitive Radio Network in Matlab/simulink?

Hello, I have started my research work in the area of cognitive radio networks. Initially I am looking to design a CRN environment in Matlab. Please help me with the initial requirements required...

06 February 2019 2,145 3 View

No title

Hello, I am modelling a vascular tissue (intima) cut by a sharp instrument in Abaqus. The scheme of my model in on the picture. The instrument will be translated and simultaneously oscillated with...

24 June 2018 3,097 3 View

How to compare two groups with only two measurements?

Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...

03 March 2021 8,796 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

Enhanced Yellow Fluorescent Protein (Aequorea victoria) DNA sequence?

I am on the lookout for the Enhanced Yellow Fluorescent Protein (Aequorea victoria) DNA sequence. Does anyone know where I can find it? Thank you in advance

03 March 2021 3,568 1 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

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 3 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

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Do we need to write protocol for a second study of a systematic review that has been registered and published?

I have conducted and published a systematic review and meta-analysis research with the topic related to public health and health pomotion (protocol was registed in PROSPERO). Now we want to...

03 March 2021 8,920 3 View

How to increase a model accuracy ?

dear community, my model is based feature extraction from non stationary signals using discrete Wavelet Transform and then using statistical features then machine learning classifiers in order to...

03 March 2021 6,994 5 View