Add virtual site with one constructing atom

[alexxy/gromacs.git] / src / gromacs / gmxlib / nrnb.h

diff --git a/src/gromacs/gmxlib/nrnb.h b/src/gromacs/gmxlib/nrnb.h
index e5129fcdde983e0385c287ac007deaa398aae1a0..847c6cdb9d345ca3d168c95e7cbf42d3c7cdc0c4 100644 (file)
--- a/src/gromacs/gmxlib/nrnb.h
+++ b/src/gromacs/gmxlib/nrnb.h
@@ -155,6 +155,7 @@ enum
     eNR_SHAKE_RIJ,
     eNR_CONSTR_VIR,
     eNR_SETTLE,
+    eNR_VSITE1,
     eNR_VSITE2,
     eNR_VSITE2FD,
     eNR_VSITE3,