How can I calculate molecular weight of a polysaccharide through viscosity that I don’t have its K and a values?

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In DFT or HF, is it more expensive to calculate the H matrix or to diagonalize it?

I was wondering: in common DFT (or Hartree-Fock) algorithms/codes, and in particular in solving the Roothan equation, what is the most computationally expensive part: 1- evaluate all the terms of...

01 February 2021 396 2 View

Warning in Lavaan, variance-covariance not positive definite!, model is not identified?

Dear colleagues, I am new to R, I have been using Amos for conducting CFA but came to learn that when dealing with Likert scale, Lavaan in R is a better tool to do such analysis. I started using...

30 December 2020 5,608 3 View

How can i figure out whether nanoparticles in my synthesis crosslinked or not?

i prepare protein nanoparticles. in one of my synthesis i use trifle amount of crosslinker and the nanoparticles stick in the bottom of plate. how can i understand that nanoparticles become...

03 December 2020 559 8 View

What is the best solver in OpenFOAM to study melt-water interaction?

During a severe accident in a nuclear reactor an energetic molten fuel/coolant interaction could happen, where a multiphase flow of a steam-water mixture in a region which contain drops of a...

29 November 2020 8,376 2 View

How can we define columns in 3D PLAXIS model for buildings existing near the excavation?

I started by a model using 3D PLAXIS to study the effect of deep excavations on existing buildings. The building was simulated as a surface plate with a surface load. Now I'm trying to do it as a...

29 November 2020 3,198 4 View

How to read forces from a file and apply them to a specified nodes in ANSYS APDL?

I want to apply different forces for every node. These force values are saved in .txt or .csv file. Can anybody help me to do that using APDL command. I attached Ansys input file for my model and...

15 November 2020 2,883 1 View

Where can I find off targets for Apis mellifera?

I would like to find off target sites for my sgRNA, however the more commonly used off target finders do not include apis meliifera, is there an application or website that would allow me to do...

09 November 2020 3,463 1 View

How can instructors assess the intercultural competence of their ESL students?

Intercultural competence is a skill rarely taught and measured in ESL venues. What is an ideal way of measuring the student's progress in developing intercultrual awareness and testing it?

08 November 2020 2,176 16 View

What is the best method to sterilize hydroxyapatite nanoparticles?

Powder insoluble

08 November 2020 509 3 View

Wrong cell dimension (cosAB)?

All input files with bravais lattice that contains an angle doesnt run in my Quantum espresso. i even tried running them in my friends laptop but the crash file displays the same problem. i hope...

03 November 2020 2,722 1 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

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

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

Does anyone know HRM channel in a 2 plex QIAGEN Rotor- Gene Q qPCR can be used as a separate channel?

I am going to have 3 different probes in my qPCR work that I am going to do. But I realized that the machine we have in the lab is a Rotor-Gene Q 2plex HRM Platform, saying it has green, yellow,...

01 March 2021 8,544 1 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

Angie Farelo

1 part its done: with IR peaks you can predict its molecular structure (funcional groups, if you have got molecular formula is a great help) and then with polymarisation degree you can find molecular weight

Lamis Saleh

Angie Farelo How can I know its polymerisation degree from IR

i don’t know its molecular formula

Lamis Saleh polymerisation degree you can search tables and index from internet or books. Like you don't have molecular formula, only IR can predict the monomer with peaks (e.g. between 2800-3200 nm it's OH group). i hope i could help you