X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.LOCAL;h=5d1ced7055ee952974914a0598ef42293f6f723a;hb=03e303eee46392dc774f51e05ab5b8c0dec398f7;hp=07ac66d4f3ec36fb645a2c50254c7605a1147df9;hpb=9392ea7a3fd17a586e00e6dffc9706b82db7b083;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.LOCAL b/source/unres/src_MD-M/COMMON.LOCAL index 07ac66d..5d1ced7 100644 --- a/source/unres/src_MD-M/COMMON.LOCAL +++ b/source/unres/src_MD-M/COMMON.LOCAL @@ -9,7 +9,7 @@ C Parameters of the virtual-bond-angle probability distribution C Parameters of the side-chain probability distribution common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp), & censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp), - &d sc0(ntyp1), + & dsc0(ntyp1), & nlob(ntyp1) C Parameters of ab initio-derived potential of virtual-bond-angle bending integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble, @@ -40,7 +40,8 @@ C Virtual-bond lenghts & iphi_end,iphid_start,iphid_end,ibond_start,ibond_end, & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end, & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start, - & iint_end,iphi1_start,iphi1_end,itau_start,itau_end, + & iint_end,iphi1_start,iphi1_end,itau_start,itau_end,ilip_start, + & ilip_end, & ibond_displ(0:max_fg_procs-1),ibond_count(0:max_fg_procs-1), & ithet_displ(0:max_fg_procs-1),ithet_count(0:max_fg_procs-1), & iphi_displ(0:max_fg_procs-1),iphi_count(0:max_fg_procs-1), @@ -56,6 +57,6 @@ C Virtual-bond lenghts & iint_end,iphi1_start,iphi1_end,iint_count,iint_displ,ivec_displ, & ivec_count,iset_displ,itau_start,itau_end, & iset_count,ibond_displ,ibond_count,ithet_displ,ithet_count, - & iphi_displ,iphi_count,iphi1_displ,iphi1_count + & iphi_displ,iphi_count,iphi1_displ,iphi1_count,ilip_start,ilip_end C Inverses of the actual virtual bond lengths common /invlen/ vbld_inv(maxres2)