X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Freadrtns.F;h=78f25211000c5bed5ff5fc219c24eb7104387843;hb=a1e2f7505712e67c4a485fc9b56e8cdfdc25c84e;hp=e2eca892e005718b9fc944fb5c46ee85ff731f4c;hpb=3a2758de24121fb0f72bd604e2163b7a4b73a27e;p=unres.git diff --git a/source/wham/src-M/readrtns.F b/source/wham/src-M/readrtns.F index e2eca89..78f2521 100644 --- a/source/wham/src-M/readrtns.F +++ b/source/wham/src-M/readrtns.F @@ -129,8 +129,9 @@ C endif call readi(controlcard,'NSAXS',nsaxs,0) call readi(controlcard,'SAXS_MODE',saxs_mode,0) call reada(controlcard,'SCAL_RAD',scal_rad,1.0d0) + call reada(controlcard,'SAXS_CUTOFF',saxs_cutoff,1.0d0) write (iout,*) "Number of SAXS restraints",NSAXS," SAXS_MODE", - & SAXS_MODE," SCAL_RAD",scal_rad + & SAXS_MODE," SCAL_RAD",scal_rad,"SAXS_CUTOFF",saxs_cutoff C /06/28/2013 Adasko: dyn_ss is keyword allowing to break and create bond C disulfide bond. Note that in conterary to dynamics this in C CONTROLCARD. The bond are read in molread_zs.F