some more whitespace cleanup

This commit is contained in:
Axel Kohlmeyer
2019-09-17 16:10:14 -04:00
parent fd63b08f99
commit 28b634f20d
2 changed files with 6 additions and 6 deletions

View File

@ -15,16 +15,16 @@ for i in range(ntemps):
logfn = '%s.%d' % (logfnprefix, i)
with open(logfn, 'r') as of:
lines = of.readlines()
# extract relevant lines from logfile
start = [lines.index(line) for line in lines if line.startswith(start_token)][0]
lines = lines[(start+1) : ]
stop = [lines.index(line) for line in lines if line.startswith(end_token)][0]
lines = lines[:stop]
# store the potential energies
pe = [float(line.strip().split()[-1]) for line in lines]
u_kn.append(pe)
u_kn = np.array(u_kn)
np.savetxt('ene.peptide', u_kn, fmt = '%5.5f')