We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent ef169e3 commit f072775Copy full SHA for f072775
basicrta/weighted_density.py
@@ -71,7 +71,7 @@ def create_traj(self):
71
range(self.gibbs.processed_results.ncomp)]
72
for k in range(self.gibbs.processed_results.ncomp):
73
swf, swl = wf[sortinds[k]], wl[sortinds[k]]
74
- with mda.Writer(f'chol_traj_comp{k}_top{self.N}',
+ with mda.Writer(f'chol_traj_comp{k}_top{self.N}.xtc',
75
len(write_ag.atoms)) as W:
76
for i, ts in tqdm(enumerate(self.u.trajectory[swf]),
77
total=len(swf),
0 commit comments