wdrop errors (tinker)

gistfile1.txt

7	2FMA	tinker	5	per_layer	0.01	0.1	446							2026-07-08T23:54:24Z	679b8306ccc53f131ce4448ca2196a34ca2eb4c8	7600X	RTX4070
[2026-07-09 01:54:24] Step 7: Extracting last frame with arcedit
[2026-07-09 01:54:24] RUN: arcedit ./cycle_input_1WAT.arc
[2026-07-09 01:54:24] DONE (rc=0): arcedit ./cycle_input_1WAT.arc
[2026-07-09 01:54:24] Expected single-frame XYZ is: ./cycle_input_1WAT.1000
[2026-07-09 01:54:24] WARNING: Expected XYZ file ./cycle_input_1WAT.1000 not found; listing directory:
[2026-07-09 01:54:24] Please adjust the naming pattern for arcedit output.



8	2FMA	tinker	5	per_layer	0.1	0.5	302							2026-07-08T23:59:26Z	679b8306ccc53f131ce4448ca2196a34ca2eb4c8	7600X	RTX4070
[2026-07-09 01:59:26] Step 7: Extracting last frame with arcedit
[2026-07-09 01:59:26] RUN: arcedit ./cycle_input_1WAT.arc
[2026-07-09 01:59:26] DONE (rc=0): arcedit ./cycle_input_1WAT.arc
[2026-07-09 01:59:26] Expected single-frame XYZ is: ./cycle_input_1WAT.1000
[2026-07-09 01:59:26] WARNING: Expected XYZ file ./cycle_input_1WAT.1000 not found; listing directory:
[2026-07-09 01:59:26] Please adjust the naming pattern for arcedit output.



2	1R6J	tinker	5	per_layer	0.1	0.5	1395							2026-07-08T22:27:38Z	679b8306ccc53f131ce4448ca2196a34ca2eb4c8	7600X	RTX4070

[2026-07-09 00:27:35] Step 7: Extracting last frame with arcedit
[2026-07-09 00:27:35] RUN: arcedit ./cycle_input_1WAT.arc
[2026-07-09 00:27:38] DONE (rc=0): arcedit ./cycle_input_1WAT.arc
[2026-07-09 00:27:38] Expected single-frame XYZ is: ./cycle_input_1WAT.1000
[2026-07-09 00:27:38] WARNING: Expected XYZ file ./cycle_input_1WAT.1000 not found; listing directory:
[2026-07-09 00:27:38] Please adjust the naming pattern for arcedit output.


20	2VB1	tinker	5	per_layer	0.1	0.5	272							2026-07-09T04:27:38Z	679b8306ccc53f131ce4448ca2196a34ca2eb4c8	7600X	RTX4070
[2026-07-09 06:26:28] Generated md.key with: RESTRAIN-POSITION -1 1961 300.0 (trajectory mode: ARCHIVE)
[2026-07-09 06:26:28] TINKER_GPU: added INTEGRATOR VERLET + REMOVE-INERTIA 0 to md.key
[2026-07-09 06:26:28] Step 6: Running dynamic (molecular dynamics simulation)
[2026-07-09 06:26:28] MD_DURATION=0.1 ns
[2026-07-09 06:26:28] TOTAL_TIME_PS=100.000000 ps
[2026-07-09 06:26:28] N_STEPS=100000
[2026-07-09 06:26:28] SAVE_EVERY_STEPS=100 steps
[2026-07-09 06:26:28] SAVE_INTERVAL_PS=0.100000 ps
[2026-07-09 06:26:28] Expected saved frames ~= 1000
[2026-07-09 06:26:28] RUN: dynamic9 ./cycle_input_1WAT.xyz_2 -k ./md.key
[2026-07-09 06:27:38] DONE (rc=0): dynamic9 ./cycle_input_1WAT.xyz_2 -k ./md.key
[2026-07-09 06:27:38] Last frame index in .arc file is 1000
[2026-07-09 06:27:38] Step 7: Extracting last frame with arcedit
[2026-07-09 06:27:38] RUN: arcedit ./cycle_input_1WAT.arc
[2026-07-09 06:27:38] DONE (rc=0): arcedit ./cycle_input_1WAT.arc
[2026-07-09 06:27:38] Expected single-frame XYZ is: ./cycle_input_1WAT.1000
[2026-07-09 06:27:38] WARNING: Expected XYZ file ./cycle_input_1WAT.1000 not found; listing directory:
[2026-07-09 06:27:38] Please adjust the naming pattern for arcedit output.
[2026-07-09 06:27:38] Runtime written to ./cycle_input_1WAT-mm-process-time.txt: 71 seconds
[2026-07-09 06:27:38] Total runtime was 272 seconds