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Added flat-bottom cylindrical restraints in x and y.
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
readir.c
diff --git
a/src/gromacs/gmxpreprocess/readir.c
b/src/gromacs/gmxpreprocess/readir.c
index b86bbef806e7f0a6317fe8900035573c4612b2d3..0322b5b28c490ee4807eb4a3d05f38fd8234d28e 100644
(file)
--- a/
src/gromacs/gmxpreprocess/readir.c
+++ b/
src/gromacs/gmxpreprocess/readir.c
@@
-3823,7
+3823,15
@@
static gmx_bool absolute_reference(t_inputrec *ir, gmx_mtop_t *sys,
case efbposresSPHERE:
AbsRef[XX] = AbsRef[YY] = AbsRef[ZZ] = 1;
break;
case efbposresSPHERE:
AbsRef[XX] = AbsRef[YY] = AbsRef[ZZ] = 1;
break;
+ case efbposresCYLINDERX:
+ AbsRef[YY] = AbsRef[ZZ] = 1;
+ break;
+ case efbposresCYLINDERY:
+ AbsRef[XX] = AbsRef[ZZ] = 1;
+ break;
case efbposresCYLINDER:
case efbposresCYLINDER:
+ /* efbposres is a synonym for efbposresCYLINDERZ for backwards compatibility */
+ case efbposresCYLINDERZ:
AbsRef[XX] = AbsRef[YY] = 1;
break;
case efbposresX: /* d=XX */
AbsRef[XX] = AbsRef[YY] = 1;
break;
case efbposresX: /* d=XX */