Technical problem in indexing in gromacs #urgent

01 January 1970 1 7K Report

While making a new index with Water and ions after adding command line and got nothing in index. It did not show a new index though it was created.

#please response quickly

Nicola Piasentin

Can you be more clear? The images show you producing two times a GROMACS index and nothing more.

Best

Nicola

Badges
Science topic

More Sahadot Hossen's questions See All

Boundary condition settings for Antenna simulation software CST or HFSS ?

I always have problems setting boundary conditions (Open, add space, Et=0, Ht =0, etc.) in CST Studio Antenna Simulation Software. Please find the attached figure. I designed all the antennas...

25 April 2024 8,761 1 View

Prediction of NMR peptides with unknown residues named "MAS", what does this mean to the model?

#Seeking help from structural biologist I am going to analyze modeling tools (AF2, RoseTTAFold2, ESMFold, etc) performance and benchmark the accuracy and so on. While doing RoseTTAFold2 modeling I...

05 April 2024 1,608 0 View

How can I predict the river shoreline change?

I would like to predict shoreline change on the data of DSAS (Digital Shoreline Analysis System) analysis. Could you help me with how can I predict?

15 March 2024 492 2 View

Mutual coupling effect on resonance requency ?

Hello! I have a question related to mutual coupling. How antenna frequencies are related? Can anyone explain this relation with mathematical equation or reference please?

01 March 2024 8,305 5 View

How can we create a circular inlet on a wall boundary face in OpenFOAM?

Keywords: OpenFOAM, topoSetDict, createPatchDict

15 February 2024 4,895 3 View

Sensitivity of S11 parameter to environmetal changes (and frequency) ?

Hello, I noticed antenna measurement fluctuates. Are mobile antennas always this sensitive to environmental changes ? Does the same happen when fabricated into the antenna ? Can anyone explain...

07 February 2024 6,903 4 View

Which parameters can I take to develop an equation for understanding river erosion pattern?

Rver annual discharge, average velocity, water level, and sediment from among them.

20 January 2024 9,255 1 View

FEA of nanoindentation?

Hi, I am doing 2D FEA analysis of nanoindentation. It has been peformed on displacement control where the indenter moves 300nm vertically. Unfortunately, I am getting a kind of zigzag curve in the...

07 December 2023 2,940 1 View

I would like to learn about density functional theory from scratch. Are there any resources available?

In theoretical chemistry, density functional theory (DFT) is a crucial topic. I would like to study DFT from scratch in order to learn about the condensed-phase environment. Could you suggest some...

01 November 2023 5,909 2 View

Does allelopathy always bring positive outcome?

what will happen if one depends only on allelopathy?

15 September 2023 2,192 2 View

How to learn more about SPSS and its Application?

I would like to learn more about SPSS and Its application especially in regards to data analysis. Please suggest me how I can learn more about it. Thank you so much.

11 August 2024 9,101 4 View

Has anyone applied Python in the field of textile engineering for data analysis, automation, or smart textiles?

I'm currently exploring the application of Python in textile engineering, specifically in areas like data analysis, process automation, and the development of smart textiles. I'm interested in...

10 August 2024 7,429 2 View

Which Scopus Journal provides the most affordable fees?

"PUBLISHING IN A SCOPUS JOURNAL" Researchers are now at a cross road. The critical need to publish in a Scopus or ISI, etc journal is ever vital. Journal Publication fees must be submitted....

10 August 2024 8,621 1 View

Seeking Advice on Viability and Execution of Undergraduate Thesis Topic?

Hello everyone, I am currently developing a thesis proposal and would appreciate your input on its viability and how to effectively carry it out. My proposed topic is: "Does the perceived threat...

10 August 2024 8,992 0 View

Who will be moral responsible for the death of thousands of people in the event of an earthquake?

Who will bear moral responsibility for the deaths of thousands of people in the event of an earthquake? Weeks and months remain before the onset of strong earthquakes that bring death to...

08 August 2024 6,134 12 View

How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...

08 August 2024 8,329 0 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 any instruments for studying time similar to the way it is in space?

There are a huge number of methods for studying objects in space, according to the senses (and not only). Mechanical, thermal, optical, acoustic, electrical, magnetic, based on particle beams,...

06 August 2024 7,102 0 View

In the case of a wound l recurrence after radical breast cancer and sentinel lymph node biopsy. Are the sentinel lymph node procedure recommended?

In the case of a wound l recurrence after radical breast cancer and sentinel lymph node biopsy. Are the sentinel lymph node procedure recommended? If no axillary lymph node dissection was not...

05 August 2024 8,056 1 View

Regarding a model for simulating battery charge and discharge, what do you consider to be high fidelity?

Regarding a model for simulating battery charge and discharge, what do you consider to be high fidelity? What is the acceptable percentage of error (regardless of the metric)? Could you suggest...

03 August 2024 5,358 0 View