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