Fix typo (crest-lab#255)

grimme-lab · Feb 1, 2024 · 4f4cd00 · 4f4cd00
2 parents d4192a6 + 411f717
commit 4f4cd00
Showing 1 changed file with 1 addition and 1 deletion.
diff --git 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