Any free software for Simultaneous Docking of Multiple Ligands?

More Hayder Obayes Hashim's questions See All

An alternate method for z score which is better to be used in statistical analysis in cloud computing ?

I have used z score in one of my research paper. now i want to use some other good statistical methods. Need guidance in this regard. i am working in energy efficient algorithms in cloud computing...

21 January 2021 9,018 3 View

How to solve melting and solidification of PCM using ANSYS Fluent?

Dear colleagues; I modeled 3D melting and solidification of phase change material filled heat exchanger and generated a (as in the picture below). First, I enabled melting and solidification...

19 January 2021 1,126 4 View

What are the shape functions of rectangular Q4 and triangular CST element models in natural coordinate system with (s,t) that ANSYS APDL will be used?

What are the shape functions of CST triangular and Q4 rectangular element models in terms of natural coordinate system (N.C.S) with (s,t) not with (x,y) in software programs as ANSYS mechanical APDL?

13 January 2021 7,968 4 View

What's the best suitable area element type like 182,and 183 quadrilateral and triangle for analysis of 2D FE modeling results, beams in ANSYS APDL?

I want to analysis of 2D FE modelling beams cantilever/simple support in ANSYS, then compare it with exact solutions (elementary) such as deflection or stresses, however what element types (solid...

07 January 2021 8,744 1 View

What's the best appropriate area element type like 182,and 183 quadrilateral and triangle for FE modeling results,analysis of 2D beams in ANSYS APDL?

I'm trying to carry out analysis of 2D FE modelling beams cantilever/simple support, then comparing it with exact solutions (elementary) such as deflection or stresses, but what element types...

06 January 2021 1,038 3 View

Why does bending stress(Sx) in ANSYS APDL direct below of point load FE 2D modelling simply supported point load higher than exact solution in value?

Why does normal bending stress/flexural stress value (Sx) just direct below a concentrated load of simply supported beam which is compression stress higher than the hand calculation Exact solution...

03 January 2021 8,462 3 View

Why does shear stress (Sxy) result in ANSYS APDL area element type solid 182 or 183 quadrilateral or triangle will be efferent in a cantilever beam?

Why does shear stress (Sxy) result in ANSYS APDL area element type solid 182 or 183 quadrilateral or triangle will be different in a cantilever beam with point load at fixed end or uniform load at...

31 December 2020 9,359 3 View

Can we use the general hotplate as a source of heating in the Soxhelt method or not ? what is optimal temperature when using n-hexane as a solvent?

there is a problem with the heating part in soxhelt apparatus, so my question can we use the standard hot plate as a source of heating?

05 December 2020 9,322 2 View

How to show effects of baffles on fluid flow?

Hello All I'm working on baffles inside a circular pipe, the problem that I'm facing is when I draw contour or streamlines, I have not found any effects for the baffles on fluid flow where fluid...

23 October 2020 2,002 3 View

How to select best Probability Distribution Function (PDF) for time series of extreme value data sets based on multiple Goodness of Fit (GOF) tests?

I have prepared an analysis of time series extreme values data sets (9 sets for different storm durations) by using three PDFs i.e. General Extreme Value (GEV), LogPearson III (LP III), and Gumbel...

11 October 2020 3,331 2 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

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MGL tools

20 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

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 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