[AMBER] ASMD equil4 not producing output files

From: Hantz, Eric R. <hantz.2.buckeyemail.osu.edu>
Date: Tue, 28 Jul 2020 13:51:23 +0000

Hello,

I was able to work through the ASMD tutorial without any issues. Now I am attempting to apply the work through to my system of interest, N-terminal domain of cardiac troponin C in a solvent box. I am running into an issue performing the equilibration 4 step. Equilibrations 1-3 complete without any issues, however equil4 does not generate any output files (mdout, or anything else specified in the line). The logfile of the job indicates that the job starts and continues until it hits the allotted walltime, but nothing seems to be going on. Any help on the matter or guidance would be greatly appreciated! Please let me know if attaching any files would be useful.

Thank you,


[signature_579283338]

Eric Hantz
Biophysics Graduate Program
Lindert Lab
2120 Newman Wolfrom





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Received on Tue Jul 28 2020 - 07:00:04 PDT
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