X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.IOUNITS;h=8c4fdb77cd6e6af212c1353374448a7d95da8f87;hb=aedd2f72960d9cec69fcc7f0b6fd6555c7e22312;hp=56e655ea872348443778e33fe493598c773dc476;hpb=9111b59335b350bc16fcac69159ec3d3cbb62ba4;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.IOUNITS b/source/unres/src_MD-M/COMMON.IOUNITS index 56e655e..8c4fdb7 100644 --- a/source/unres/src_MD-M/COMMON.IOUNITS +++ b/source/unres/src_MD-M/COMMON.IOUNITS @@ -11,11 +11,12 @@ 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,ithep_pdb,irotam_pdb + & irest1,isccor,ithep_pdb,irotam_pdb,itorkcc,ithetkcc 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,ithep_pdb,irotam_pdb + & icart,irest1,isccor,ithep_pdb,irotam_pdb, + & itorkcc,ithetkcc character*256 outname,intname,pdbname,mol2name,statname,intinname, & entname,prefix,secpred,rest2name,qname,cartname,tmpdir, & mremd_rst_name,curdir,pref_orig @@ -39,10 +40,13 @@ C CSA I/O units & files C Parameter files character*256 bondname,thetname,rotname,torname,tordname, & fouriername,elename,sidename,scpname,sccorname,patname, - & thetname_pdb,rotname_pdb,liptranname + & thetname_pdb,rotname_pdb,liptranname,thetkccname, + & torkccname + common /parfiles/ bondname,thetname,rotname,torname,tordname, & fouriername,elename,sidename,scpname,sccorname,patname, - & thetname_pdb,rotname_pdb,liptranname + & thetname_pdb,rotname_pdb,liptranname,thetkccname, + & torkccname character*3 pot C----------------------------------------------------------------------- C INP - main input file