HI everybody.
Please , any person work on large amplitude oscillatory shear (LAOS) of polymeric material .
Kind Regard
This is the error message Warning: can't find user's home.Could not save the configuration file!To avoid this message, define or check the environment variable HOMEDIR to a local directory
04 May 2017 8,594 0 View
Greeting. I am interesting on these topic. any information or additional detail about this work
01 January 1970 3,807 2 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
I am looking for journals that admit the publication of results from applying the IUCN Standard for designing and monitoring Nature-based solutions. Many thanks for considering my request.
23 July 2024 6,444 2 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
>>>>>>>>>> Convergence criterion not met. SCF Done: E(RB3LYP) = -472.437545326 A.U. after 33 cycles NFock= 32 Conv=0.29D-07 -V/T= 2.2914...
16 July 2024 8,862 2 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