Rosetta
Variables
pre_fill_dfire_2D.m File Reference

Variables

 function [extra]
 
 alpha = 2.0
 
 Rbin = 0.5
 
 Rcut = 14.75
 
 r = linspace(Rbin/2, Rcut, 30)
 
 sumr = squeeze(sum(raw,4))
 
 Ncut = squeeze(sumr(:,:,30))
 
 extra = zeros(NAA, NAA, 30, 16)
 
for i
 

Variable Documentation

◆ alpha

alpha = 2.0

◆ extra

extra = zeros(NAA, NAA, 30, 16)

◆ function

function[extra]
Initial value:
%alpha = 1.61
surf_surf_th1, NAA pre_fill_dfire_2D()
should not contain ALA GLY PRO NAA
Definition: draw_gen_env_dep_orient_decompose.m:31
alpha
Definition: pre_fill_dfire_2D.m:3

◆ i

for i
Initial value:
= 1:NAA
for j = 1:NAA
for k = 1:30
extra( i, j, k, : ) = (r(k)/Rcut)^alpha * Ncut(i, j) / 16
k
Definition: create_a3b_hbs.py:347
j
Definition: create_a3b_hbs.py:351
Ncut
Definition: pre_fill_dfire_2D.m:9
r
Definition: pre_fill_dfire_2D.m:7
for i
Definition: pre_fill_dfire_2D.m:12
Rcut
Definition: pre_fill_dfire_2D.m:6
extra
Definition: pre_fill_dfire_2D.m:10

◆ Ncut

Ncut = squeeze(sumr(:,:,30))

◆ r

r = linspace(Rbin/2, Rcut, 30)

◆ Rbin

Rbin = 0.5

◆ Rcut

Rcut = 14.75

◆ sumr

sumr = squeeze(sum(raw,4))