Setting up condor run for KJ set 4

gitter-lab · Mar 15, 2022 · 1587d30 · 1587d30
1 parent 8ea40fc
commit 1587d30
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diff --git a/htcondor/run_defs/KJ_set_4.txt b/htcondor/run_defs/KJ_set_4.txt
@@ -0,0 +1,15 @@
+--run_type
+energize
+--run_name
+KJ_set_4
+--energize_args_fn
+energize_args/condor_set_2.txt
+--master_variant_fn
+variant_lists/1gz2_remod_p_subvariants_TN-200K_MAXS-5_MINS-1_DB-0_RS-184063779.txt
+variant_lists/1hdo_remod_p_subvariants_TN-200K_MAXS-5_MINS-1_DB-0_RS-916173055.txt
+variant_lists/1i1n_remod_p_subvariants_TN-200K_MAXS-5_MINS-1_DB-0_RS-251498353.txt
+variant_lists/1lm4_remod_p_subvariants_TN-200K_MAXS-5_MINS-1_DB-0_RS-753334219.txt
+--variants_per_job
+-1
+--github_tag
+v0.7.4
diff --git a/variant_lists/vlist_defs/KosciolekAndJones_set_4.txt b/variant_lists/vlist_defs/KosciolekAndJones_set_4.txt
@@ -0,0 +1,12 @@
+subvariants
+--pdb_fn
+pdb_files/prepared_pdb_files/1gz2_remod_p.pdb
+pdb_files/prepared_pdb_files/1hdo_remod_p.pdb
+pdb_files/prepared_pdb_files/1i1n_remod_p.pdb
+pdb_files/prepared_pdb_files/1lm4_remod_p.pdb
+--target_num
+200000
+--max_num_subs
+5
+--min_num_subs
+1