X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Freadrtns.F;fp=source%2Fwham%2Fsrc%2Freadrtns.F;h=9fa6137bf7f7a108be6dcadf005b09b1a32b79ac;hp=c13b16eb290efa4d2954062cbfe57464333021e1;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F index c13b16e..9fa6137 100644 --- a/source/wham/src/readrtns.F +++ b/source/wham/src/readrtns.F @@ -17,6 +17,7 @@ include "COMMON.FREE" include "COMMON.CONTROL" include "COMMON.ENERGIES" + include "COMMON.SBRIDGE" character*800 controlcard integer i,j,k,ii,n_ene_found integer ind,itype1,itype2,itypf,itypsc,itypp @@ -94,6 +95,10 @@ & " CONSTR_DIST",constr_dist refstr = index(controlcard,'REFSTR').gt.0 pdbref = index(controlcard,'PDBREF').gt.0 + dyn_ss=(index(controlcard,'DYN_SS').gt.0) +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 call flush(iout) return end