X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fq_measure1.F;h=22b764bcbc10083cc5c1aeabef5552d67d8427f2;hb=a30bd29e64da2aa47b84963fdd0bf4192ead2738;hp=9c1546d37415288577aed3f1e12c490acea8fc0d;hpb=020e579626d686ec20ecd9f0cc4c8313f474e152;p=unres.git diff --git a/source/unres/src-HCD-5D/q_measure1.F b/source/unres/src-HCD-5D/q_measure1.F index 9c1546d..22b764b 100644 --- a/source/unres/src-HCD-5D/q_measure1.F +++ b/source/unres/src-HCD-5D/q_measure1.F @@ -156,8 +156,12 @@ c MD with umbrella_sampling using Wolyne's distance measure as a constraint #ifndef LANG0 include 'COMMON.LANGEVIN' #else +#ifdef FIVEDIAG + include 'COMMON.LANGEVIN.lang0.5diag' +#else include 'COMMON.LANGEVIN.lang0' #endif +#endif include 'COMMON.CHAIN' include 'COMMON.DERIV' include 'COMMON.GEO' @@ -260,8 +264,12 @@ c Calculating numerical dUconst/ddc and dUconst/ddx #ifndef LANG0 include 'COMMON.LANGEVIN' #else +#ifdef FIVEDIAG + include 'COMMON.LANGEVIN.lang0.5diag' +#else include 'COMMON.LANGEVIN.lang0' #endif +#endif include 'COMMON.CHAIN' include 'COMMON.DERIV' include 'COMMON.GEO'