X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.TORSION;h=6b6605fa49d478b77d88dd901f39d999cd0aa970;hb=f6eb5c2d70287339a62fc51fadfbce56be74c40a;hp=3c9ae3993afccac6e9858e2fb08dfb0a952c6608;hpb=1ec63117ee44a3e787d12afd971025ec11340b1f;p=unres.git diff --git a/source/unres/src_MD/COMMON.TORSION b/source/unres/src_MD/COMMON.TORSION index 3c9ae39..6b6605f 100644 --- a/source/unres/src_MD/COMMON.TORSION +++ b/source/unres/src_MD/COMMON.TORSION @@ -1,33 +1,23 @@ 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,2), - & v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2), - & v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2), - & vlor1(maxlor,maxtor,maxtor), + common/torsion/v0(maxtor,maxtor),v1(maxterm,maxtor,maxtor), + & v2(maxterm,maxtor,maxtor),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) + & itortyp(ntyp),ntortyp,nterm(maxtor,maxtor),nlor(maxtor,maxtor) & ,nterm_old C 6/23/01 - constants for double torsionals double precision v1c,v1s,v2c,v2s integer ntermd_1,ntermd_2 - 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, - & -maxtor:maxtor,2), - &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor, - & -maxtor:maxtor,2), - & ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2), - & ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2) + common /torsiond/ v1c(2,maxtermd_1,maxtor,maxtor,maxtor), + & v1s(2,maxtermd_1,maxtor,maxtor,maxtor), + & v2c(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor), + & v2s(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor), + & ntermd_1(maxtor,maxtor,maxtor),ntermd_2(maxtor,maxtor,maxtor) C 9/18/99 - added Fourier coeffficients of the expansion of local energy C surface double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde integer nloctyp - common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor) - & ,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 + common/fourier/ b1(2,maxtor),b2(2,maxtor),cc(2,2,maxtor), + & dd(2,2,maxtor),ee(2,2,maxtor),ctilde(2,2,maxtor), + & dtilde(2,2,maxtor),b1tilde(2,maxtor),nloctyp