Skip to content

Commit 943d8e0

Browse files
committed
Lower default relaxation timeout threshold
1 parent fc08f7f commit 943d8e0

File tree

1 file changed

+1
-1
lines changed

1 file changed

+1
-1
lines changed

posebench/models/minimize_energy.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -55,7 +55,7 @@
5555

5656
FORCE_FIELDS_IMPLICIT = ["amber14-all.xml", "implicit/gbn2.xml"]
5757
FORCE_FIELDS_EXPLICIT = ["amber14-all.xml", "amber14/tip3pfb.xml"]
58-
OPTIMIZATION_TIMEOUT_IN_SECONDS = 1800
58+
OPTIMIZATION_TIMEOUT_IN_SECONDS = 600
5959

6060
bond_lengths = {
6161
("C", "CA"): (1.5335,),

0 commit comments

Comments
 (0)