Added missing angle potential file

mrdna/config.py

@@ -47,11 +47,11 @@ Do you agree to allow the mrdna package can send the information
 described above to the Aksimentiev group webserver? [y/N]""")
         response = input()
         if response in 'y Y yes Yes YES'.split():
-            print("Permission granted")
+            # print("Permission granted")
             config['reporting_allowed'] = True
             break
         elif response in 'n N no No NO'.split() + [""]:
-            print("Permission denied")
+            # print("Permission denied")
             config['reporting_allowed'] = False
             break
     with open(_USER_CONF,'w') as ch:

mrdna/model/spring_from_lp.py

+import numpy as np
+_kT = 0.58622522         # kcal/mol
+_k = np.logspace(-8,3,1000)
+
+def _integrate( fn ):
+    t = np.linspace(0,np.pi,10000)
+    return np.trapz( fn(t), t[np.newaxis,:], axis = -1 )
+
+_integral = _integrate( lambda t: np.cos(t[np.newaxis,:])*np.sin(t[np.newaxis,:])* np.exp((-0.5*_k[:,np.newaxis]*(t[np.newaxis,:])**2 )/_kT) ) / \
+            _integrate( lambda t: np.sin(t[np.newaxis,:]) * np.exp((-0.5*_k[:,np.newaxis]*(t[np.newaxis,:])**2 )/_kT) )
+
+
+assert( (np.diff(_integral) <= 0).sum() == 0 )
+def k_angle(sep,Lp):
+    val = np.exp(-sep/Lp)
+    return np.interp(val,_integral,_k) * 0.00030461742 # convert to degree^2