Add code of Alphafold

Unipisa · Jan 23, 2024 · a0e9974 · a0e9974
1 parent 1f71c22
commit a0e9974
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Showing 3 changed files with 1 addition and 1 deletion.
diff --git a/alphafold.tar.gz b/alphafold.tar.gz
diff --git a/test_data/.DS_Store b/test_data/.DS_Store
diff --git a/test_data/1e2k_al/input_1e2k_ff99_15.txt b/test_data/1e2k_al/input_1e2k_ff99_15.txt
@@ -17,6 +17,6 @@ p_name				= NA
 # Negative charge name
 n_name				= CL
 # number of simulation steps, this determines the time of the simulation time (ns) = sim_step*0.002/1000 
-sim_step				= 7500000
+sim_step				= 750000
 # data directory
 data_dir 			= /data/genetic_databases/