In plumed, is it possible to access the atoms index (for a given CV) in bias section?

How can we access the information on the atom indexes involved in a given collective variable. I can see that it is possible to access this information in colvar and analysis classes. But is it...

03 April 2019 7,112 2 View

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1. What should be non-bonded interaction parameter for the atoms of the wall? 2. How to ensure its correctness? Thanks

10 November 2016 6,314 0 View

Reduction in speed while using ReaxFF forcefield on LAMMPS. Is there any specific reason for this?

03 April 2016 2,106 6 View

How can I calculate triplet correlations using CUDA?

A simple GPU algorithm for finding triplet correlations accelerated on CUDA. Please follow the link.

04 May 2015 2,798 0 View

How to put distance constraint between two groups of atoms in LAMMPS package?

I have two groups of atom of moving particles. So how can I put the distance constraint, without making them rigid.

02 March 2015 5,582 0 View

What are the two oxidation states of sulphur in sodium thiosulphate?

Please explain with proper reasons... Thanks.

01 February 2015 6,561 7 View

How to draw a cone along a given vector?

please explain .

01 February 2015 5,894 0 View

What are the two oxidation states of sulphur in sodium thiosulphate ?

In thiosulphate, two sulphurs have oxidation state of -2 and +6. (as per suggestions). Sulphur bonded to three oxygen is considered to have +6 (Sulphur A) and other sulphur has -2 (Sulphur B)....

01 February 2015 4,298 7 View

How can I make a conical selection in vmd?

What are the general equations for a conic selection. I want information about the atoms present in a conic volume of given radius and height. Please explain.

01 February 2015 1,690 3 View

Why neighbour list is not building on GPU in LAMMPS ?

01 February 2015 3,596 1 View

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View

Timeout error!! Processor in the loop (PIL) using STM32F4 Matlab 2018a?

Dear Researchers I am trying to perform a PIL simulation using STM32F4 Discovery board and comunication serial USB TO TTL. During simulation I receive the following timeout error: An error...

01 March 2021 2,327 1 View

Which is suitable for use with Python? MySQL or SQL Server?

Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?

01 March 2021 3,422 3 View

How to define tie constraint between rigid body and another part in dynamic explicit model of Abaqus?

Hi dear researchers I connected a rigid body into the part of my structure by tie constraint and then I added displacement to rigid body, in static general step every thing is fine and these two...

28 February 2021 3,442 2 View

How to eliminate Steady state error from Reinforcement learning genetic algorithm code?

The following code (see 1st 2 images attached) is used to produce PID controller values that are designed to control the system (G). The code finds the PID controller values (noted as k) by using...

28 February 2021 6,560 14 View

How to prevent ANFIS Model from negative prediction values in MATLAB?

I have input and output data set for "ANFIS modeling in MATLAB", and I am getting some negative predicted values of output in testing. However, the predicted values of output in training are...

28 February 2021 3,459 3 View

How to plot the probability paper of Gumbel distribution using R programing?

In R-studio, there are many commands of Gumbel package. Arguments are also different. I`m asking about the alpha parameter of the Copula which must be greater than 1. If this is the one used to...

25 February 2021 5,229 3 View

How does an AC-DC power supply Flyback Converter Based USB Charger Model using Matlab/Simulink looks like?

I am required to learn about Flyback converters and I got stuck not knowing to full design of the power supply flyback converter Based USB Charger Model using Simulink, especially the design model...

25 February 2021 5,435 2 View

Please. Could you help be in implementing Fractal Discrete Cosine Transform algorithm in Matlab?

I do need the Matlab code of Fractal Discrete Cosine Transform (FDCT). Can anyone who has already implement this code, help me with the implementation of this transform?

24 February 2021 5,602 2 View

D2D implementation in Matlab in Vienna LTE software?

Hi Hope you are well. Can you please share your code for D2D implementation in Matlab. I want to implement D2D in Matlab based Vienna simulator and struggling to deploy D2D. Thanks

24 February 2021 9,378 3 View