Fixed bug in reading trisulfide potentials (atriss, btriss, ctriss, dtriss).

[unres.git] / source / unres / src_MD-M / readrtns_CSA.F

diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F
index 6984aeb..3987a4d 100644 (file)
--- a/source/unres/src_MD-M/readrtns_CSA.F
+++ b/source/unres/src_MD-M/readrtns_CSA.F
@@ -539,7 +539,7 @@ C
       integer rescode
       double precision x(maxvar)
       character*256 pdbfile
-      character*320 weightcard
+      character*400 weightcard
       character*80 weightcard_t,ucase
       dimension itype_pdb(maxres)
       common /pizda/ itype_pdb
@@ -680,10 +680,14 @@ C 12/1/95 Added weight for the multi-body term WCORR
       call reada(weightcard,"V2SS",v2ss,7.61d0)
       call reada(weightcard,"V3SS",v3ss,13.7d0)
       call reada(weightcard,"EBR",ebr,-5.50D0)
-      call reada(weightcard,"DTRISS",dtriss,1.0D0)
-      call reada(weightcard,"ATRISS",atriss,0.3D0)
-      call reada(weightcard,"BTRISS",btriss,0.02D0)
-      call reada(weightcard,"CTRISS",ctriss,1.0D0)
+      call reada(weightcard,"ATRISS",atriss,0.301D0)
+      call reada(weightcard,"BTRISS",btriss,0.021D0)
+      call reada(weightcard,"CTRISS",ctriss,1.001D0)
+      call reada(weightcard,"DTRISS",dtriss,1.001D0)
+      write (iout,*) "ATRISS=", atriss
+      write (iout,*) "BTRISS=", btriss
+      write (iout,*) "CTRISS=", ctriss
+      write (iout,*) "DTRISS=", dtriss
       dyn_ss=(index(weightcard,'DYN_SS').gt.0)
       do i=1,maxres
         dyn_ss_mask(i)=.false.