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added script to save permanent moments Qodana #16: Commit ebadb9a pushed by minouemmad
9m 50s master
master
9m 50s
added script to save permanent moments Force Field X Build #16: Commit ebadb9a pushed by minouemmad
12m 40s master
master
12m 40s
added saveInduced to regular Minimize command Force Field X Build #15: Commit 37ed053 pushed by minouemmad
11m 18s master
master
11m 18s
added saveInduced to regular Minimize command Qodana #15: Commit 37ed053 pushed by minouemmad
10m 21s master
master
10m 21s
Merge branch 'master' of https://github.com/minouemmad/forcefieldx Qodana #14: Commit b364118 pushed by minouemmad
12m 29s master
master
12m 29s
Merge branch 'master' of https://github.com/minouemmad/forcefieldx Force Field X Build #14: Commit b364118 pushed by minouemmad
11m 21s master
master
11m 21s
Merge branch 'SchniedersLab:master' into master Force Field X Build #13: Commit f4d13a9 pushed by minouemmad
12m 25s master
master
12m 25s
Merge branch 'SchniedersLab:master' into master Qodana #13: Commit f4d13a9 pushed by minouemmad
11m 35s master
master
11m 35s
removed bonding requirements, added com calculation for non-hydrogen … Qodana #12: Commit 82db879 pushed by minouemmad
23s master
master
23s
removed bonding requirements, added com calculation for non-hydrogen … Force Field X Build #12: Commit 82db879 pushed by minouemmad
11m 24s master
master
11m 24s
use Atom.getBond(...) Force Field X Build #11: Commit d1e8ead pushed by minouemmad
11m 22s master
master
11m 22s
use Atom.getBond(...) Qodana #11: Commit d1e8ead pushed by minouemmad
22s master
master
22s
fixed missing closing brace Qodana #10: Commit da8de7e pushed by minouemmad
22s master
master
22s
fixed missing closing brace Force Field X Build #10: Commit da8de7e pushed by minouemmad
5m 31s master
master
5m 31s
added connectivity checks Qodana #9: Commit 6c1315b pushed by minouemmad
19s master
master
19s
added connectivity checks Force Field X Build #9: Commit 6c1315b pushed by minouemmad
5m 32s master
master
5m 32s
got rid of masking logic Force Field X Build #8: Commit 41ec29e pushed by minouemmad
11m 25s master
master
11m 25s
got rid of masking logic Qodana #8: Commit 41ec29e pushed by minouemmad
19s master
master
19s
logging for guest anchors Force Field X Build #7: Commit d86e235 pushed by minouemmad
11m 15s master
master
11m 15s
logging for guest anchors Qodana #7: Commit d86e235 pushed by minouemmad
3m 29s master
master
3m 29s
fixed atom naming to match C4, C40, C41, C42... Qodana #6: Commit 2c6a11e pushed by minouemmad
23s master
master
23s
fixed atom naming to match C4, C40, C41, C42... Force Field X Build #6: Commit 2c6a11e pushed by minouemmad
11m 32s master
master
11m 32s
:1@C4 means 1st C4 atom in the host (I think) Qodana #5: Commit 6f4dbdb pushed by minouemmad
26s master
master
26s
:1@C4 means 1st C4 atom in the host (I think) Force Field X Build #5: Commit 6f4dbdb pushed by minouemmad
11m 16s master
master
11m 16s
added support to resolve AMBER mask syntax for host anchors and used … Force Field X Build #4: Commit daf78e9 pushed by minouemmad
11m 38s master
master
11m 38s