X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fparmread.F;h=c9617ec7a6be2ae69c9d9926807e33a9af17b631;hb=d24fd92f8762d3b48a94c699ef90e0ab37d3c204;hp=8de6af555f48a16c9fa468f6ab277ba92c90dbb9;hpb=7006db11d703450fb82ce20cfc53f74614334362;p=unres.git diff --git a/source/cluster/wham/src-M/parmread.F b/source/cluster/wham/src-M/parmread.F index 8de6af5..c9617ec 100644 --- a/source/cluster/wham/src-M/parmread.F +++ b/source/cluster/wham/src-M/parmread.F @@ -17,11 +17,11 @@ C include 'COMMON.SBRIDGE' include 'COMMON.SCCOR' include 'COMMON.SCROT' + include 'COMMON.LANGEVIN' character*1 t1,t2,t3 character*1 onelett(-2:2) /"p","a","G","A","P"/ logical lprint dimension blower(3,3,maxlob) - double precision ip,mp C C Body C @@ -34,10 +34,10 @@ C Assign virtual-bond length vblinv=1.0D0/vbl vblinv2=vblinv*vblinv #ifdef CRYST_BOND - read (ibond,*) vbldp0,vbldpdum,akp + read (ibond,*) vbldp0,vbldpdum,akp,mp,ip,pstok do i=1,ntyp nbondterm(i)=1 - read (ibond,*) vbldsc0(1,i),aksc(1,i) + read (ibond,*) vbldsc0(1,i),aksc(1,i),msc(i),isc(i),restok(i) dsc(i) = vbldsc0(1,i) if (i.eq.10) then dsc_inv(i)=0.0D0 @@ -46,10 +46,10 @@ C Assign virtual-bond length endif enddo #else - read (ibond,*) ijunk,vbldp0,vbldpdum,akp,rjunk + read (ibond,*) ijunk,vbldp0,vbldpdum,akp,rjunk,mp,ip,pstok do i=1,ntyp read (ibond,*) nbondterm(i),(vbldsc0(j,i),aksc(j,i),abond0(j,i), - & j=1,nbondterm(i)) + & j=1,nbondterm(i)),msc(i),isc(i),restok(i) dsc(i) = vbldsc0(1,i) if (i.eq.10) then dsc_inv(i)=0.0D0