How Can I define 3*6 matrix in COMSOL?

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Fatal error: Atom type OUrea (residue UREA) not found in atomtype database??

I am running the pdb2gmx command for my protein using Gromos 54a7 force field, but I have this error: Fatal error: Atom type OUrea (residue UREA) not found in atomtype database while this atom...

04 May 2023 156 2 View

Apply post translational modification in pdb file before MD simulation?

I am going to calculate the binding energy between two proteins, which one of them is post translationally modificated. Is there any way to apply this PTM in pdb file before MD simulation?

18 January 2023 3,728 3 View

How to run dyson orbital in gaussian?

Hi, how to run dyson orbital in gaussian? what is the keyword for this Job? I would like an input and an example

14 August 2022 458 0 View

Error while calculating binding energy using gmx_mmpbsa?

I am trying to calculate binding energy between two protein using gmx_mmpbsa, but when I am running the last command to calculate binding energy (gmx_MMPBSA -O -i mmpbsa.in -cs md.tpr -ci...

09 June 2022 3,133 6 View

Is it possible to use such RMSD graph for publications?

I ran a simulation for two proteins in a complex, but the RMSD graph show instability after 45 ns. is it possible to represent such RMSD graph in article or use it for analysis?

22 May 2022 6,152 0 View

The two protein do not separate completely during umbrella sampling!?

I am going to calculate the free binding energy of two proteins which are in a complex. I have used the umbrella sampling for this purpose, but after pulling, the two proteins do not separate...

06 March 2022 2,061 5 View

Calculating free binding energy between two proteins using umbrella sampling?

Hello, I am going to calculate the free binding energy between two proteins using umbrella sampling. I have docked the two proteins in a complex and then fixed one of them and pulled another...

10 February 2022 5,106 12 View

What is the cut-ff level for Z-score?

Dear all, One way to detect the outlier of our dataset is Z-score. However, I can't find any reference that informs us about the cut-off level. Would you please tell me about the reliable and most...

26 January 2022 4,424 13 View

How can I get read of this message in Mplus?

Dear researchers, I know how to run multilevel data in Mplus; But, with my data-set I always come through this error "One or more between-level variables have variation within a cluster for the...

09 October 2021 2,758 4 View

How can I solve this error in MPLUS?

With multilevel analysis, I run a lot of data-sets in Mplus, however, I face the following error: "One or more between-level variables have variation within a cluster for the following clusters....

14 September 2021 1,217 3 View

Problems about acousto-optic coupling in Comsol, how to check whether the moving mesh is correct?

I’m trying to reproduce the acousto-optic coupling simulation in the paper Frequency–angular resolving LiDAR using chip-scale acousto-optic beam steering. LNOI(lithium niobate on insulator) is...

13 August 2024 9,795 0 View

How to get LP fiber modes directly from Comsol?

Hi there, I'm new to modelling with comsol. I would like to ask if it is possible for comsol to output linearly polarized (LP) modes? I tried modelling a simple single mode fiber with an enlarged...

23 July 2024 4,019 3 View

Can anyone help with this comsol error? Pleaaaase I need help !!?

Undefined variable. - Variable: comp1.cNa - Géométrie: geom1 - Domaine: 1 Failed to evaluate expression. - Expression: comp1.cNa - Affichage: Graphique sur ligne 1

19 July 2024 1,938 2 View

Why electrical charge on the moving plate increase?

Hi, everyone This figure depicts a simulation of an electrostatic energy harvesting system in COMSOL Multiphysics software. My question is regarding the relationship between the changes in...

19 July 2024 4,694 4 View

Why does the error "The relative error (0.29) is greater than the relative tolerance" appear in Comsol Multiphysics?

Hello, My name is Radu Jubleanu, I am a PhD student at the Politehnica University of Bucharest. I work in the field of magnetic storage in superconductors. I want to carry out a numerical study of...

15 July 2024 6,025 1 View

How to use stress and displacement results from 1st stationary simulation as initial conditions for 2nd eigenfrequency simulation in COMSOL?

Dear All, I am trying to define the dispersion curves of a periodic unit cell in COMSOL Multiphysics with prescribed displacements. I am using two separate studies: - Study 1: Stationary, with...

13 July 2024 7,855 1 View

I have need a LPBF/SLM model on comsol multiphysics ?

In this model clearly understanding how to active one layer to another layer and how to add powder material properties step by step.

08 July 2024 6,147 0 View

Is it possible to define exothermic processes in finite element software like COMSOL? If yes, how can this be done?

We aim to study an exothermic process and evaluate its temporal changes. Could you recommend suitable software for this purpose and explain how to conduct this analysis? What specific data is...

30 June 2024 8,413 1 View

Has anyone simulated Argon plasma jet in Comsol?

Hello, Has anyone successfully modeled 2D argon plasma jet using the COMSOL? I would greatly appreciate any guidance on this matter.

30 June 2024 5,597 0 View

COMSOL simulation of transient wave optics propagation is not physical?

Hi guys, I am trying to simulate a 1 ps long plane wave propagating in a dispersive material, with the wave optics transient module. According to the drude-lorentz model, when the frequency of...

29 June 2024 486 1 View