Version - PRinS3_V_2_1_0_Ubuntu_2020_64x
OS - Linux
Machine - PIPL03
Case 1
Extend option is not available after completion of MD simulation
Case 2
Terminate
APO is not getting terminated. If the APO combination is present and terminated first then other jobs does not get terminated.
Case 3
Terminate and restart
When terminated and restart - Message (Constant volume simulations configuration was not generated). Jobs are running
The message should be given under the “message” section, right now it is showing in “Terminate jobs”
Case 4
Terminate and resubmit
Resubmitted only 1 complex but both of them got resubmitted
Case 5
Terminate and resubmit
When terminated and resubmit - Message (Constant volume simulations configuration was not generated). Job didn't ran
Case 6
Graphs
Didnt select APO but still it is showing
Graphs are coming in straight line when selected for all protein
Version - PRinS3_V_2_1_0_Ubuntu_2020_64x OS - Linux Machine - PIPL03
Case 1 Extend option is not available after completion of MD simulation
Case 2 Terminate APO is not getting terminated. If the APO combination is present and terminated first then other jobs does not get terminated.
Case 3 Terminate and restart When terminated and restart - Message (Constant volume simulations configuration was not generated). Jobs are running The message should be given under the “message” section, right now it is showing in “Terminate jobs”
Case 4 Terminate and resubmit Resubmitted only 1 complex but both of them got resubmitted
Case 5 Terminate and resubmit When terminated and resubmit - Message (Constant volume simulations configuration was not generated). Job didn't ran
Case 6 Graphs Didnt select APO but still it is showing Graphs are coming in straight line when selected for all protein