Energy minimization using QM/MM in Gromacs?

Hello, I am trying to perform QM/MM simulations using Gromacs 2016.5, especially to model a transition state for a reaction. I found this tutorial that uses the Linear Transit approach :...

18 October 2020 4,810 3 View

Muscle pain analysis on mice ?

I need to measure if my mice have muscle pain after exercise. I'm not sure which test to do, I was thinking of running them on a treadmill first to simulate the exercise, but then I'm not sure...

07 August 2020 5,789 1 View

Why does the open-circuit voltage of a photovoltaic cell have to be smaller than the bandgap voltage ?

Dear all, I am trying to compute the theoretical efficiency of a photovoltaic cell using the method described in the attached paper, which is based on the classical Shockley and Queisser...

17 June 2020 3,700 2 View

Death in human primary CD8+ T-cell culture: advice?

11 October 2016 6,474 3 View

No title

04 September 2016 1,887 2 View

I'm simulating the spherical indentation of a porous layer with Abaqus. Could you help me solve some convergence issues ?

Hi, I recently started to use Abaqus in order to simulate the spherical indentation of a porous layer. Here is a quick description of my model (see the link below to download related files). 2D...

04 November 2015 6,072 3 View

Can anyone recommend a good immunofluorecence protocol for non adhesive cells in culture?

Which is the best way to adhere cells on slide/coverslips? I need to attach T cells on slide to make immunofluorecence assays and microscopy analysis

04 May 2014 5,956 4 View

Do you know any computerized decision support design principle sets?

I already know Bates', Kuperman's, Pelayo's, Sittig's, Phansalkar/Zachariah's and Horsky's design principles. They are very complete but I fear I've missed other sets.

25 March 2013 9,177 1 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

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

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

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Irradiation data for JAPAN?

Hi, Could you help me to get the latest (2019, 2020) solar resource data for a particular site in JAPAN? PV GIS and NSRDB data are not in reach to JAPAN, I'm looking for some other database for...

03 March 2021 961 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

New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before?

Question to you and THEM, the New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before? There appears to be a core problem for...

02 March 2021 3,024 2 View