X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2FCOMMON.TORSION;h=8c12a508d0d7d7b31df66fb8512fa09301c8b891;hb=7bdee2e1c32891f6ac8f163ccecda78bd643d01e;hp=c42ea1dd78aeb2a98b0331e67952dd42a68e62aa;hpb=ee9de1e2fd3818616fc35fba9d3a05b7af9fa88c;p=unres.git diff --git a/source/unres/src_CSA_DiL/COMMON.TORSION b/source/unres/src_CSA_DiL/COMMON.TORSION index c42ea1d..8c12a50 100644 --- a/source/unres/src_CSA_DiL/COMMON.TORSION +++ b/source/unres/src_CSA_DiL/COMMON.TORSION @@ -1,19 +1,21 @@ C Torsional constants of the rotation about virtual-bond dihedral angles double precision v1,v2,vlor1,vlor2,vlor3,v0 integer itortyp,ntortyp,nterm,nlor,nterm_old - common/torsion/v0(-maxtor:maxtor,-maxtor:maxtor), - & v1(maxterm,-maxtor:maxtor,-maxtor:maxtor), - & v2(maxterm,-maxtor:maxtor,-maxtor:maxtor), + common/torsion/ v0(-maxtor:maxtor,-maxtor:maxtor,2), + & v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2), + & v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2), & vlor1(maxlor,maxtor,maxtor), - & vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor), - & itortyp(-ntyp:ntyp),ntortyp, - & nterm(-maxtor,maxtor,-maxtor:maxtor,2), - & nlor(-maxtor:maxtor,-maxtor:maxtor,2) - & ,nterm_old + & vlor2(maxlor,maxtor,maxtor), + & vlor3(maxlor,maxtor,maxtor), + & nterm(-maxtor:maxtor,-maxtor:maxtor,2), + & nlor(-maxtor:maxtor,-maxtor:maxtor,2), + & itortyp(-ntyp:ntyp), + & ntortyp, + & nterm_old C 6/23/01 - constants for double torsionals double precision v1c,v1s,v2c,v2s integer ntermd_1,ntermd_2 -common /torsiond/ + common /torsiond/ &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2), &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2), &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor, @@ -30,4 +32,4 @@ C surface & ,cc(2,2,-maxtor:maxtor), & dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor), & ctilde(2,2,-maxtor:maxtor), - & dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor,maxtor),nloctyp + & dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor:maxtor),nloctyp