X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.IOUNITS;h=49b6db31dc1042339fbd81aa52e5cb1bb47017e5;hb=a3ef63eda7d771657cc2df1d275e0a03a5cc1966;hp=a9ace0b7fb6ad40683e925f23f6d256b91471cf7;hpb=a245815881bd894e34ef0474435ad1217631e636;p=unres.git diff --git a/source/unres/src_MD/COMMON.IOUNITS b/source/unres/src_MD/COMMON.IOUNITS index a9ace0b..49b6db3 100644 --- a/source/unres/src_MD/COMMON.IOUNITS +++ b/source/unres/src_MD/COMMON.IOUNITS @@ -11,11 +11,11 @@ C General I/O units & files integer inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,irotam, & itorp,itordp,ifourier,ielep,isidep,iscpp,icbase,istat, & ientin,ientout,izs1,isecpred,ibond,irest2,iifrag,icart, - & irest1,isccor + & irest1,isccor,ithep_pdb,irotam_pdb common /iounits/ inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep, & irotam,itorp,itordp,ifourier,ielep,isidep,iscpp,icbase, & istat,ientin,ientout,izs1,isecpred,ibond,irest2,iifrag, - & icart,irest1,isccor + & icart,irest1,isccor,ithep_pdb,irotam_pdb character*256 outname,intname,pdbname,mol2name,statname,intinname, & entname,prefix,secpred,rest2name,qname,cartname,tmpdir, & mremd_rst_name,curdir,pref_orig @@ -38,9 +38,11 @@ C CSA I/O units & files & icsa_bank_reminimized,icsa_native_int,icsa_in,icsa_pdb C Parameter files character*256 bondname,thetname,rotname,torname,tordname, - & fouriername,elename,sidename,scpname,sccorname,patname + & fouriername,elename,sidename,scpname,sccorname,patname, + & thetname_pdb,rotname_pdb common /parfiles/ bondname,thetname,rotname,torname,tordname, - & fouriername,elename,sidename,scpname,sccorname,patname + & fouriername,elename,sidename,scpname,sccorname,patname, + & thetname_pdb,rotname_pdb character*3 pot C----------------------------------------------------------------------- C INP - main input file