-
Notifications
You must be signed in to change notification settings - Fork 1
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
updated submission scripts for ascent allocation, and changed submiss…
…ion using remd_workflow
- Loading branch information
Theodore Fobe
committed
Sep 17, 2024
1 parent
cecdd6e
commit 9a9029a
Showing
6 changed files
with
11 additions
and
7 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -3,7 +3,7 @@ | |
#SBATCH -t 4:00:00 | ||
#SBATCH -p amilan | ||
#SBATCH -J 'mop-octamer-npt-equilibration' | ||
#SBATCH --account=ucb368_asc1 | ||
#SBATCH --account=ucb469_asc1 | ||
#SBATCH [email protected] | ||
#SBATCH --mail-type=BEGIN | ||
#SBATCH --mail-type=END | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -3,7 +3,7 @@ | |
#SBATCH -t 4:00:00 | ||
#SBATCH -p amilan | ||
#SBATCH -J 'mop-octamer-nvt-equilibration' | ||
#SBATCH --account=ucb368_asc1 | ||
#SBATCH --account=ucb469_asc1 | ||
#SBATCH [email protected] | ||
#SBATCH --mail-type=BEGIN | ||
#SBATCH --mail-type=END | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -3,7 +3,7 @@ | |
#SBATCH -t 20:00:00 | ||
#SBATCH -p amilan | ||
#SBATCH -J 'mop-octamer-remd-continue' | ||
#SBATCH --account=ucb368_asc1 | ||
#SBATCH --account=ucb469_asc1 | ||
#SBATCH [email protected] | ||
#SBATCH --mail-type=BEGIN | ||
#SBATCH --mail-type=END | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -3,7 +3,7 @@ | |
#SBATCH -t 20:00:00 | ||
#SBATCH -p amilan | ||
#SBATCH -J 'mop-octamer-remd-finish' | ||
#SBATCH --account=ucb368_asc1 | ||
#SBATCH --account=ucb469_asc1 | ||
#SBATCH [email protected] | ||
#SBATCH --mail-type=BEGIN | ||
#SBATCH --mail-type=END | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -3,7 +3,7 @@ | |
#SBATCH -t 20:00:00 | ||
#SBATCH -p amilan | ||
#SBATCH -J 'mop-octamer-remd' | ||
#SBATCH --account=ucb368_asc1 | ||
#SBATCH --account=ucb469_asc1 | ||
#SBATCH [email protected] | ||
#SBATCH --mail-type=BEGIN | ||
#SBATCH --mail-type=END | ||
|