X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=files%2Fmatplotlib_fit_hist.py;h=e08d110c30d3dd2f15165156ea9c42678fcc2553;hb=3cd10cb73439c774e87c98f6873b12eff8109ffa;hp=cbdafe0cd75bd3e53e952c0d2bc74c4ddf3d4331;hpb=161801e60a4b6ac75ee8704dfb2d508e513cfa66;p=django_unres.git diff --git a/files/matplotlib_fit_hist.py b/files/matplotlib_fit_hist.py index cbdafe0..e08d110 100755 --- a/files/matplotlib_fit_hist.py +++ b/files/matplotlib_fit_hist.py @@ -12,7 +12,7 @@ import sys def prob_T(x,a): gg=np.float128(g) aa=np.float128(10**(-gg-2)*a) - Tr=np.float128(300.) + Tr=np.float128(t_bath) return np.exp( np.log(aa) + (gg-2)/2*np.log(x) - gg*x/(2*Tr) ) # return aa * ( x**((gg-2)/2) * np.exp( -gg*x/(2*Tr) ) ) @@ -20,6 +20,7 @@ def prob_T(x,a): #x,y= np.loadtxt('1L2Y_NH_GB000.stat',usecols=(0,11),skiprows=10000,unpack=True) #x,y= np.loadtxt('1L2Y_B_GB000.stat',usecols=(0,10),skiprows=30,unpack=True) g=int(sys.argv[1]) +t_bath=float(sys.argv[2]) with open('md.stat','r') as f: for line in f: pass @@ -80,4 +81,4 @@ if ncolumns==14: plt.ylabel('fraction of native side-chain concacts') plt.plot(x1,nc,'.') plt.savefig('md_fracn.png') - \ No newline at end of file +