From 14df43b06197090220f402419392df531295755a Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Mon, 25 May 2015 13:07:23 +0200 Subject: [PATCH] cxread debug 7 --- source/wham/src-M/cxread.F | 10 ++++++---- source/wham/src-M/include_unres/COMMON.SBRIDGE | 4 ++-- 2 files changed, 8 insertions(+), 6 deletions(-) diff --git a/source/wham/src-M/cxread.F b/source/wham/src-M/cxread.F index e29fb24..c4cc7bb 100644 --- a/source/wham/src-M/cxread.F +++ b/source/wham/src-M/cxread.F @@ -64,8 +64,10 @@ c write (iout,*) "rpotE",rpotE," iret",iret call xdrfint_(ixdrf, nss, iret) do j=1,nss if (dyn_ss) then - call xdrfint(ixdrf, idssb(j)+nres, iret) - call xdrfint(ixdrf, jdssb(j)+nres, iret) + call xdrfint(ixdrf, idssb(j), iret) + call xdrfint(ixdrf, jdssb(j), iret) + idssb(j)=idssb(j)-nres + jdssb(j)=jdssb(j)-nres else call xdrfint_(ixdrf, ihpb(j), iret) call xdrfint_(ixdrf, jhpb(j), iret) @@ -87,8 +89,8 @@ c write (iout,*) "rpotE",rpotE," iret",iret call xdrfint(ixdrf, nss, iret) do j=1,nss if (dyn_ss) then - call xdrfint(ixdrf, idssb(j)+nres, iret) - call xdrfint(ixdrf, jdssb(j)+nres, iret) + call xdrfint(ixdrf, idssb(j), iret) + call xdrfint(ixdrf, jdssb(j), iret) else call xdrfint(ixdrf, ihpb(j), iret) call xdrfint(ixdrf, jhpb(j), iret) diff --git a/source/wham/src-M/include_unres/COMMON.SBRIDGE b/source/wham/src-M/include_unres/COMMON.SBRIDGE index 8222ff7..bea57e4 100644 --- a/source/wham/src-M/include_unres/COMMON.SBRIDGE +++ b/source/wham/src-M/include_unres/COMMON.SBRIDGE @@ -3,7 +3,7 @@ common /sbridge/ ss_depth,ebr,d0cm,akcm,akth,akct,v1ss,v2ss,v3ss, & ns,nss,nfree,iss(maxss) double precision dhpb,dhpb1,forcon - integer ihpb,jhpb,nhpb,idssb,jdssb + integer ihpb,jhpb,nhpb,idssb,jdssb,ibecarb common /links/ dhpb(maxdim),dhpb1(maxdim),forcon(maxdim), & ihpb(maxdim),jhpb(maxdim),nhpb double precision weidis @@ -14,6 +14,6 @@ logical dyn_ss,dyn_ss_mask common /dyn_ssbond/ dtriss,atriss,btriss,ctriss,Ht, & dyn_ssbond_ij(maxres,maxres), - & idssb(maxdim),jdssb(maxdim) + & idssb(maxdim),jdssb(maxdim),ibecarb(maxdim) common /dyn_ss_logic/ & dyn_ss,dyn_ss_mask(maxres) -- 1.7.9.5