X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Freadrtns.F;h=9fa6137bf7f7a108be6dcadf005b09b1a32b79ac;hb=5bb67e428e075179aa8fa5973cc58a09efb41743;hp=eb7e462ebe30e12077abeea8b3ea0923ab04de46;hpb=349f6fe2d435277d26d84f388aa8b4312a1f9a04;p=unres.git diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F index eb7e462..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 @@ -92,6 +93,12 @@ call readi(controlcard,'CONSTR_DIST',constr_dist,0) write (iout,*) "with_dihed_constr ",with_dihed_constr, & " 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