How to conduct sequential Monte Carlo simulation in Digsilent?
Hi, I am preparing a porous Carboxymethyl cellulose membrane by adding DMF as non solvant. After addition of DMF into CMC, I stirred it at 70 degree for 4 hours and then put into glass petri dish...
23 June 2024 3,080 2 View
spectrophotometric determination of iron and copper
04 June 2024 1,720 0 View
Hello Seniors, I need some help, I want to find out thermoelectric properties of 2D materials by VASP software can you tell me All steps and important INCAR tags.?
02 June 2024 7,093 1 View
The mankind is on the edge of resistance to peace. If you view news you will find that every day there are portions of the world where wars are happening and many innocent people are being killed....
26 May 2024 4,633 3 View
i am working in a diagnostic lab and very confusing about the calibrator, control and standard that we are using in our lab for quality assuarance of diagnosis of disease
07 April 2024 5,763 2 View
I am working on HKL values calculations for Pna21 space type BFO. is there anyone who can recommend a reliable method for the calculations of HKL values without accessing JCPDS cards....?...
13 March 2024 4,942 2 View
There are 4 items in one variable and in EFA , items loaded in 2 different columns of other variable
06 March 2024 2,161 1 View
Hi, I am going to graduate soon InshaaALLAH. I have a plan to write a patent, I am currently working in the control and design laboratory and my Prof. expertise is also in control systems. I...
28 February 2024 8,573 1 View
I need a referenced cites on the above
17 February 2024 7,991 2 View
If I have to make the cloning strategy, what should be my workflow to do this. I got two problems, one to select suitable expression vector from pCAMBIA1301, and pCAMBIA1302. As 1301 has GUS...
17 February 2024 8,748 2 View
I read an interesting article from Christensen (2007): A Monte Carlo approach to unidimensionality testing in polytomous rasch models. But do you have some further thoughts or maybe other...
08 August 2024 4,245 0 View
A Markov-like Model for Patient Progression" Markov Chain Monte Carlo (MCMC) Markov Chain Monte Carlo (MCMC) is a powerful computational technique used to draw samples from a probability...
05 August 2024 10,079 0 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 781 1 View
Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
29 July 2024 3,084 8 View
If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...
28 July 2024 673 3 View
Hello. I have the geometry of a blade in CAD file (stp) and I want to prepare the blade for meshing with turboGrid. I must import this file into designModeler and then transfer to the...
27 July 2024 356 3 View
Hello, I'm trying to create parameter and coordinate files for a drug (PRG-A01) found on the following page: http://www.probechem.com/products_PRG-A01.html I used the guide made by Michael...
17 July 2024 3,472 3 View
Dear Gromacs users, I would like to simulate a zeolite-water system. In different literature, it is suggested to consider a rigid framework of zeolite to decrease the computational cost. I would...
15 July 2024 4,590 1 View
