X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Freadrtns.F;h=ad038e2418cc1a74a12cdb7a151c5b8035b73381;hb=f38a5bce43e7aa0071f0a3862eff6e9866ff03a1;hp=c13b16eb290efa4d2954062cbfe57464333021e1;hpb=34b56f82298df0d9781948908b2d93415838d88e;p=unres.git diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F index c13b16e..ad038e2 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 @@ -92,8 +93,15 @@ call readi(controlcard,'CONSTR_DIST',constr_dist,0) write (iout,*) "with_dihed_constr ",with_dihed_constr, & " CONSTR_DIST",constr_dist + call readi(controlcard,'CONSTR_HOMOL',constr_homology,0) + write (iout,*) "with_homology_constr ",with_dihed_constr, + & " CONSTR_HOMOLOGY",constr_homology 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