from MDAnalysis import *
import MDAnalysis.analysis
import numpy
def mindist(groupA,groupB):
""" Returns minimum distance of two atomgroups """
dists = MDAnalysis.analysis.distances.distance_array(groupA.positions, groupB.positions)
return numpy.amin(dists)
u=Universe('test.gro','test.xtc')
for ts in u.trajectory:
a=u.selectAtoms("resid 260")
b=u.selectAtoms("resid 261")
print mindist(a,b)