Water bonds elongating during NPT equilibrium (GROMACS) ?

Hi I am running lipid bilayer (POPC) equilibrium simulation solvated with spc water molecules. (full membrane protein) The NVT ensemble has no water bond elongation or jumpimg from 1 leaflet...

31 December 2017 7,271 2 View

Extract energy from .edr file for specific group if atoms

I performed MD simulations of an Ag-Ab complex. GROMACs treat the whole Ag-Ab complex as Protein in topology file. And I didn't provide index file which grouped Antigen and L-chain Ab and H-chain...

07 August 2017 5,851 6 View

No title

31 December 2015 5,926 1 View

Ligand_protein complex in Lipid Bilayer Gromacs MD simulation - diverging due to protin and liagnd constaints.

01 January 1970 1,953 4 View

VMD : window name "id4" already exists in parent ?

01 January 1970 5,631 0 View

Does the pressure(-600 mmHg) affects pH?

When I conducted the degassing experiment using decompression under anaerobic condition(and I used ferrous based chelating agent), the oxidized ferric were observerd. So, could you tell me the...

03 March 2021 4,892 5 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

What is the most reliable source to get Impact factor of journals?

Source to get Impact factor of journals

01 March 2021 6,654 2 View

How to define tie constraint between rigid body and another part in dynamic explicit model of Abaqus?

Hi dear researchers I connected a rigid body into the part of my structure by tie constraint and then I added displacement to rigid body, in static general step every thing is fine and these two...

28 February 2021 3,442 2 View

Problem with shRNA transfection. Why are only two plates getting contaminated instead of all?

I transfected my LNCaP-WT cells with 3 shRNA plus their NTC two weeks ago and split two puromycin selected cell plates on Friday last week(Feb 26). I checked for GFP in the cells, and they all...

28 February 2021 4,949 3 View

Which database would give me this list of chemical components?

Dear colleagues: I would like to know if anyone knows of a database that gives me the parameters pH, K, K, Mg, P, C, N, Zn, Cu, Ni and Cd of common foods. I find a lot of information of proteins,...

26 February 2021 5,525 3 View

Which index or sites are reliable in determining of plant species?

There are many indexes when determining plant species: Plants of the World Online (POWO), International Plants Names Index (www.ipni.org), The Plant List (www.theplantlist.org) and others. But...

26 February 2021 3,404 10 View

Why is NH4OH added in heavy metals limit test?

The limit test I'm referring to is USP method II. In this procedure you need to dropwise add 6N of NH4OH to the sample until it the pH is alkali. After that you need to dilute and add HOAc until...

23 February 2021 2,049 3 View

How do historians determine the credibility sources in modern history?

For a source to be considered reliable it must contain accurate historical information. But how does one determine the accuracy and reliability of sources in modern and recent history since not...

23 February 2021 1,346 13 View

How does the injection volume impact LLOQ and ULOQ in regression analysis (LC-MSMS)?

Hello, I have run into an issue that has sparkled a debate at work: is the LLOQ/ULOQ impacted by injection volume under the following circumstances: 1) Same dilution factor of all samples 2)...

23 February 2021 9,159 3 View