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Questions related from Bukunmi Akinwunmi
Hello, I am in the process of making a predictive nonlinear model for my data with one dependent variable and 3 independent variables. I am currently using SPSS and R but the best model i have at...
05 May 2019 1,802 3 View
Hi all, i am currently working on montmorillonite clay. i am using Gromacs, clayff and vmd. i got a unit cell from an online data base but would like to create up to 6 or 16 unit cell model. also...
12 December 2017 3,604 4 View
Hello all, i would like to generate an .itp file using clayff force field with gromacs. i tried the gmx x2top -f .gro -o .itp -ff command but got error message In command-line option -o...
12 December 2017 7,327 3 View
HI all, i am currently carrying out a gromacs simualtion and the simulation has been going on for over 20days because the system is heavy but i will like to know how to check the current state of...
10 October 2017 1,432 7 View
Hi all, i am presently working with a system containing NaCl and i added some Calciumchloride to see the influence of change in cation. Now i have my results but i'll like to know how i can study...
09 September 2017 1,986 3 View
i want to extend a completed simulation and i need to increase the temperature. from the documentation i saw this "If you wish/need to change .mdp file options, then either grompp -f new.mdp...
08 August 2017 1,820 11 View
Hello everyone, i am currently working on the effects of temperature on a system but with my current mdp setting the results are not looking realistic. Curently 300K and 600K are giving the...
08 August 2017 3,221 4 View
In the study of swelling clay and factors affecting swelling.
03 March 2017 1,492 0 View
