Does anyone know how to obtain the sparse Hessian matrix of a protein complex conformation using namd or tinker?
Tinker program implement the Hessian matrix using sparse matrix. The sparse Hessian matrix can be obtained by simply modifying "testhess.f".
06 July 2017 935 7 View
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
Let F be a field. Consider U, the set of n times n strictly upper triangular matrices in F. For X, Y in U, we call them similar if there exists some S, which is non-degenerate and upper...
01 March 2021 2,957 8 View
Also when RHAMM binds hyaluronic acid, they get internalized, will RHAMM also be degraded? Or both CD44 and RHAMM will be transferred back to the cell membrane? Asking for breast cancer cell line...
01 March 2021 8,169 2 View
When explaining substitution models, the substitutions are expressed as Q matrix. Why is the sum of the elements in a row zero?
28 February 2021 3,864 3 View
How would define the "good" and "poor" distribution of particles within the matrix. Is there a quantitative solution to assess the distribution of the particles, which then having denotation of...
28 February 2021 7,397 8 View
Hello. I have a skewed elliptical coordinate system (I use alternative elliptical coordinates). And I need to determine connections between coordinates in order to fetch a covariance matrix of...
28 February 2021 364 3 View
28 February 2021 5,433 3 View
I am working on developing a micromechanical FE model for predicting kink-band formation in UD composites. To model matrix plasticity, which model, out of Concrete Damaged Plasticity and...
28 February 2021 5,415 1 View
Respected Professor's i hope you are doing well and happy. i need some information about carbon Nanotubes. before blending the CNT with the matrix the CNT has been introducing in some treatments....
24 February 2021 5,383 5 View
in the function rbingham(n,A) in R software how can I construct that A (symmetric) matrix?
24 February 2021 3,528 3 View