X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;h=3016bc491cf1049942aafaeb8dd7e2c0b8641960;hb=dc70c570abec4596355df26ff19756658e33e762;hp=0022208e30076d5ad232e0b8a6dcfdaba84d361b;hpb=c38fe34069adb9697683235f8b1e2311a3122e8f;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index 0022208..3016bc4 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -131,7 +131,7 @@ typedef struct s_lj_params {
 #define SI			0x0e
 #define LC_SI			0.543105e-9				/* m */
 #define M_SI			(28.085*AMU)				/* kg */
-#define LJ_SIGMA_SI		((0.25*sqrt(3.0)*LC_SI)/1.122462)	/* m */
+#define LJ_SIGMA_SI		((0.20*sqrt(3.0)*LC_SI)/1.122462)	/* m */
 #define LJ_EPSILON_SI		(2.1678*1.60e-19)			/* Nm */
 
 /* function prototypes */