From 411f717ede4a266acb1bc36a235fc8b14a302049 Mon Sep 17 00:00:00 2001 From: Philipp Pracht Date: Thu, 1 Feb 2024 09:34:08 +0000 Subject: [PATCH] Fix typo Signed-off-by: Philipp Pracht --- src/legacy_algos/tautomerize.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/legacy_algos/tautomerize.f90 b/src/legacy_algos/tautomerize.f90 index 2dd29480..bb7c016d 100644 --- a/src/legacy_algos/tautomerize.f90 +++ b/src/legacy_algos/tautomerize.f90 @@ -569,7 +569,7 @@ subroutine protens(ens,env,prot,tim) !--- change back to original dir and copy the file with optimized protomers call chdir(thispath) - jobcall = trim(tmppath)//'/'//'protonared.xyz' + jobcall = trim(tmppath)//'/'//'protonated.xyz' call rename(trim(jobcall),'protonated.xyz') call rmrf(dirn) return