From: Cezary Czaplewski Date: Tue, 30 Apr 2013 07:08:54 +0000 (+0200) Subject: testing ssbond in cx X-Git-Tag: v.3.2~12 X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=7c6b0cdd62ad24b98f7467758b65982d2827f67b testing ssbond in cx --- diff --git a/source/xdrfpdb/src/xdrf2pdb.F b/source/xdrfpdb/src/xdrf2pdb.F index c87e9ff..c33490b 100644 --- a/source/xdrfpdb/src/xdrf2pdb.F +++ b/source/xdrfpdb/src/xdrf2pdb.F @@ -108,8 +108,8 @@ print *,"potE",potE," uconst",uconst #ifdef NEWUNRES call xdrffloat(ixdrf, uconst_back, iret) -#endif print *,"uconst_back",uconst_back +#endif call xdrffloat(ixdrf, t_bath, iret) print *,"t_bath",t_bath call xdrfint(ixdrf, nss, iret) @@ -118,6 +118,7 @@ call xdrfint(ixdrf, jhpb(j), iret) enddo print *,"nss",nss + print *," ",(ihpb(j),"-",jhpb(j),j=1,nss) call xdrfint(ixdrf, nfrag, iret) do i=1,nfrag call xdrffloat(ixdrf, qfrag(i), iret)