diff --git a/tools/gromacs/editconf.xml b/tools/gromacs/editconf.xml index cf0f2646..d414d31b 100644 --- a/tools/gromacs/editconf.xml +++ b/tools/gromacs/editconf.xml @@ -16,6 +16,9 @@ #if $box.config == "true": -d $box.dim -bt $box.type + #end if + #if $renumber.renum =="true": + -resnr $renumber.startres_id #end if &>> verbose.txt && @@ -29,7 +32,17 @@ - + + + + + + + + + + +