From a169aeec0ffc24337ba404c465008cf9ee10062c Mon Sep 17 00:00:00 2001
From: Sikorski <sikorski@zib.de>
Date: Mon, 26 Aug 2024 13:48:18 +0200
Subject: [PATCH] multitraj.jl: set maxradius to former IsoMu cutoff parameter

---
 scripts/multitraj.jl | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/scripts/multitraj.jl b/scripts/multitraj.jl
index ccf7bc5..f050c32 100644
--- a/scripts/multitraj.jl
+++ b/scripts/multitraj.jl
@@ -5,11 +5,11 @@ using ISOKANN:
     pdists,
     atom_indices,
     data_from_trajectory,
-    lastcat,
+    mergedata,
     *
 
 DATADIR = "/data/numerik/ag_cmd/trajectory_transfers_for_isokann/data/8EF5_500ns_pka_7.4_no_capping_310.10C"
-MAXRADIUS = 0.5 # angstrom
+MAXRADIUS = 1.2 # nanometer
 STRIDE = 10
 
 trajfiles = ["$DATADIR/traj.dcd" for i in 1:2]