whether GROMACS can do rmsd restrain of a protein it its starting conformation throughout the whole simulation?

Hi all. I have a query. It is about Whether GROMACS can do rmsd restraint of a protein throughout the whole simulation. I found Gromacs can do only position restraint. But my intention is the...

21 November 2020 481 4 View

What is the best Discrete Element Method (DEM) solver, that can be used to for granular packing of super-ellipsoid particles ?

I am interested in packing primary particles defined by super-ellipsoid equations under the influence of particle particle interaction involving friction, torque and reducing particle to particle...

27 October 2020 9,031 1 View

Is it possible to simulate only a particular higher order mode in CST Microwave Studio?

Consider the case of a WR-90 rectangular waveguide (a = 22.86 mm, b = 10.16 mm). If I want to see the fields etc. for say the TE02 mode in CST MWS is it possible to simulate it in particular?...

29 September 2020 8,572 11 View

Where can I find online available current data for Induction Motor or Synchronous Motor stator inter turn fault ?

I am working on the project of developing an algorithm for stator inter-turn failure diagnosis. For that, I am looking for online available data of the current signal from the faulty machine.

08 May 2020 4,667 1 View

Can anyone provide a solution to "severe error message 2070" in Gaussian during perovskite optimization?

Hi All, I have imported a .cif file into Gaussian09 and I am trying to optimize its structure. During the optimization there is an error message "severe error message 2070". When I check the files...

24 November 2019 970 4 View

Has anyone experienced missing nucleotide sequence even without any perturbation?

I have experienced a strange thing while my recent cloning. After I had sequenced my clone i noticed that a part of the nucleotide sequence got missing from the plasmid backbone. I have not done...

09 September 2019 4,914 2 View

Microstrip line Characteristic Impedance?

I have 2 questions related to Microstrip Line characteristic impedance: 1) What would be the relation of characteristic impedance of a given microstrip line with frequency? As effective...

09 April 2019 3,728 5 View

Can anyone please solve this question?

A single-phase load is fed through a 66-kV feeder whose impedance is 120+j 400 Q and a 66/6.6 kV transformer whose equivalent impedance (referred to LV) is 0.4 + 1.5 . The load is 250 kW at 0.8...

22 November 2018 8,346 2 View

What is the appropriate methodology to apply shockwave theory at weaving sections?

I want to apply the shockwave theory to the traffic behaviour at weaving section with an auxiliary lane. What is the appropriate methodology? Is it appropriate to apply the theory of moving...

25 March 2018 4,078 4 View

What could be the possible reasons for double drainage samples having larger instant deformation than single drainage samples?

26 November 2017 4,794 2 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

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

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

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

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

Sample dilution for quantitative analysis using ELISA?

If the detection range is in ng/ml but the reference range is in ug/ml for a molecule or protein in serum or plasma .how to dilute and what is the initial volume to be taken for quantitative analysis

02 March 2021 7,670 3 View

Why the results when using wall thickness and when using shell conduction are different in ansys fluent?

Actually, I am running cfd simulation for a heat exchanger which has two fluids one hot and other one is cold fluid. there is a solid domain between them, which I removed and instead I have used...

01 March 2021 9,537 2 View

Joint behaviour in Abaqus is not captured well?

I am working on roof joint and trying to simulate the behaviour in Abaqus. I am successful in running the model but the final graph does not follow the experimental curve in the negative direction...

01 March 2021 6,661 3 View

In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View