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Merge release-4-6 into master
[alexxy/gromacs.git]
/
src
/
programs
/
gmxcheck
/
gmxcheck.c
diff --git
a/src/programs/gmxcheck/gmxcheck.c
b/src/programs/gmxcheck/gmxcheck.c
index c6fd9cd960ac1aa736b142920b5a72dd243bbd12..4c2bf0350ebb04dc63375793c5c03f428f4310ae 100644
(file)
--- a/
src/programs/gmxcheck/gmxcheck.c
+++ b/
src/programs/gmxcheck/gmxcheck.c
@@
-213,8
+213,10
@@
static void chk_bonds(t_idef *idef,int ePBC,rvec *x,matrix box,real tol)
b0 = 0;
switch (ftype) {
case F_BONDS:
- case F_G96BONDS:
b0 = idef->iparams[type].harmonic.rA;
+ break;
+ case F_G96BONDS:
+ b0 = sqrt(idef->iparams[type].harmonic.rA);
break;
case F_MORSE:
b0 = idef->iparams[type].morse.b0A;