Problem in energy minimization using Gromacs?

I have done energy minimization of DNA using Gromacs with tutorial lysozyme in water. The potential energy curve show a steep drop.

18 February 2021 4,822 2 View

Is there any software to generate pdb of G quadruplex?

I have a DNA sequence which has predictability to form G quadruplex . I need a software to generate a pdb of it which will form G quadruplex. I am using open Babel but I am not able to set the...

29 January 2021 6,190 4 View

How much Ti and B (in ppm) is required for effective grain refinement and why?

To have the desired grain size in 6061 and 6063 Al alloy, what should be the minimum % of Ti and B pick up and what is the chemistry/metallurgy behind that?

07 January 2021 9,305 2 View

How to make AlV50% alloy by thermit route?

Kindly provide the technical papers/patents on the production of AlV50% alloy by thermit route, by using V2O5

05 January 2021 2,471 3 View

Is there any online webserver for DNA-ligand docking?

I have used Autodock 4.2 for docking studies and trying haddock for DNA-Ligand docking. It shows an error and not supported DNA PDB file. Suggest a template for DNA and ligand PDB file and also...

29 December 2020 1,322 8 View

Apart from deoxidation what are the other applications of Ferro Aluminum (FeAl) and Al wire?

FeAl and Al wire has applications in Steel for deoxidation. I want to know the other application of various grades of FeAl. Does Al wire also has other applications apart from deoxidation? Regards

27 December 2020 8,435 1 View

Is there is any reference if someone is using Ti sponge cored wire instead of FeTi 70% cored wire for plain carbon steel?

There is a different behavior in carbon steel and stainless steel. Drastic low recovery in carbon steel due to high melting temp. But in ss , working temp is high so dissolve at 1668 degree temp....

16 December 2020 8,765 8 View

What are the Best practices in NLP dataset preprocessing if the dataset contains plenty of misspelled words?

I am currently working on an NLP experiment. The dataset that I am using is 'Essays' in which there are essays written by participants. These essays contains plenty of misspelled words and...

30 November 2020 5,675 5 View

Can any one please help me for mobility management in 5G, please provide me some coding in MATLAB?

To improve the QoS in next-generation network how mobility is used?

09 November 2020 6,163 4 View

Is it possible to have grains in the range of 50-80 micron (2-5 min of contact time) in 6061 and 6063 alloy after the addition of TiBAl (5:1)?

If 0.2% of TiBAl (5:1) is added in 6061 and 6063 aluminum alloy what is the grain size for 2-5 min of contact time?

20 September 2020 4,265 3 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 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

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 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