How to perform MMPBSA using Gromacs ??

Can anyone suggest me the proper way to perform MMPBSA using Gromacs ??

11 October 2020 5,203 3 View

Do all the authors of a research article receive same/ equal weightage?

The number of multiple author research articles is on the surge worldwide. Which is a great indication of collaborative research and is the way forward for almost every research field and domain....

27 April 2020 9,945 6 View

Getting heterozygous band in Sanger sequencing in one direction only, not in the other direction, even after repetition. Why?

Even after repeating Sanger sequencing for a particular genetic region, heterozygous band peaks can be seen for a particular nucleotide position, only with one of the primers used for...

21 February 2020 5,209 1 View

Can a non-binary sensing matrix be implemented using a Digital Micromirror Device?

In compressive sensing of images Digital MicroMirror Device (DMD) is used to implement the sensing matrix. DMD works in two states, on and off. This can implement a binary sensing matrix. How is a...

05 November 2019 2,096 3 View

Has anyone faced difficulties recovering a radiolabeled product from a borosilicate glass vial after product dry down?

I have recently been working with Ga-68 labeled biomolecules and I have only 50% recovery from my borosilicate glass vial after the product has been dried at 50 degree C under a stream of nitrogen...

01 May 2019 319 3 View

Different shear sense in a ductile shear zone?

Hi all, I am working on a ductile shear zone (E-W trending, near vertical to steeply dipping to the north) where the rock is dominantly mylonitic and stretching lineations are in most cases down...

15 January 2019 4,044 13 View

Is there a closed form solution to the problem: Min_A norm(Y-AX)?

I need to find the matrix A that would minimize the expression: Norm(Y-AX), where Y is a m x L matrix, A is a m x N matrix and X is an N x L matrix, satisfying m

08 March 2017 2,061 6 View

Is there a closed form solution for minimizing a concave function in a convex region?

I need to find a entropy minimizing probability distribution under a convex constraint.

16 January 2017 2,774 8 View

How to decide the value of k in the kth nearest neighbor clustering method?

What is density linkage clustering?

16 February 2016 3,155 5 View

Dynabeads are washed with 0.1%bsa/pbs solution during MeDIP experiments; what is the purpose of using pbs-bsa solution during washing step?

Dynabeads are washed with 0.1%bsa/pbs solution during MeDIP experiments; what is the purpose of using pbs-bsa solution during washing step?

14 November 2015 7,479 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

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

How to compare two groups with only two measurements?

Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...

03 March 2021 8,796 3 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

How to increase a model accuracy ?

dear community, my model is based feature extraction from non stationary signals using discrete Wavelet Transform and then using statistical features then machine learning classifiers in order to...

03 March 2021 6,994 5 View