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=51216d936388de182e4b60ad093e7c69eeca4b2c;hpb=d24fd92f8762d3b48a94c699ef90e0ab37d3c204;p=unres.git diff --git a/source/wham/src-M/readrtns.F b/source/wham/src-M/readrtns.F index 51216d9..78f2521 100644 --- a/source/wham/src-M/readrtns.F +++ b/source/wham/src-M/readrtns.F @@ -128,8 +128,10 @@ C endif 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) + call reada(controlcard,'SAXS_CUTOFF',saxs_cutoff,1.0d0) write (iout,*) "Number of SAXS restraints",NSAXS," SAXS_MODE", - & SAXS_MODE + & 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