avgrst fix + introduced px,py,pz into moldyn (for future use)

[physik/posic.git] / mdrun.c

diff --git a/mdrun.c b/mdrun.c
index 8c5cf71..31abd1c 100644 (file)
--- a/mdrun.c
+++ b/mdrun.c
@@ -630,9 +630,9 @@ int chsattr(t_moldyn *moldyn,t_mdrun *mdrun) {
        }
        if(csp->type&CHSATTR_AVGRST) {
                if(csp->avgrst)
-                       mdrun->sattr|=CHSATTR_AVGRST;
+                       mdrun->sattr|=SATTR_AVGRST;
                else
-                       mdrun->sattr&=(~(CHSATTR_AVGRST));
+                       mdrun->sattr&=(~(SATTR_AVGRST));
        }
        if(csp->type&CHSATTR_RSTEPS) {
                mdrun->relax_steps=csp->rsteps;