X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Freadrtns.F;h=e2eca892e005718b9fc944fb5c46ee85ff731f4c;hb=8240250d17b6fe7bc28f03d503d5f9c6ad935297;hp=271fca8adfdf2594491e666d980fb7dc26a597a5;hpb=0ff0f56e5628a7493beb4a8e6facea26f5b852b2;p=unres.git diff --git a/source/wham/src-M/readrtns.F b/source/wham/src-M/readrtns.F index 271fca8..e2eca89 100644 --- a/source/wham/src-M/readrtns.F +++ b/source/wham/src-M/readrtns.F @@ -126,6 +126,11 @@ C endif refstr = index(controlcard,'REFSTR').gt.0 pdbref = index(controlcard,'PDBREF').gt.0 dyn_ss=(index(controlcard,'DYN_SS').gt.0) + call readi(controlcard,'NSAXS',nsaxs,0) + call readi(controlcard,'SAXS_MODE',saxs_mode,0) + call reada(controlcard,'SCAL_RAD',scal_rad,1.0d0) + write (iout,*) "Number of SAXS restraints",NSAXS," SAXS_MODE", + & SAXS_MODE," SCAL_RAD",scal_rad 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