X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fenergy_data.F90;h=0f5e406f6e46bacf1ac6c7ca4f6a339b97461ab5;hb=bc23440fbe68672d430f71f22f46b11265f003db;hp=07e7d731d0b9d50a812cd5992fd0a636680276d2;hpb=3d3780d89d2885ee8700324ef832ef07ee35c45b;p=unres4.git diff --git a/source/unres/data/energy_data.F90 b/source/unres/data/energy_data.F90 index 07e7d73..0f5e406 100644 --- a/source/unres/data/energy_data.F90 +++ b/source/unres/data/energy_data.F90 @@ -3,7 +3,7 @@ use names !----------------------------------------------------------------------------- ! Max. number of energy intervals - integer,parameter :: max_ene=49 !10 + integer,parameter :: max_ene=50 !10 !----------------------------------------------------------------------------- ! Maximum number of terms in SC bond-stretching potential integer,parameter :: maxbondterm=3 @@ -408,7 +408,7 @@ integer,dimension(:),allocatable :: ichargecat ! integer oldion - real(kind=8),dimension(:,:),allocatable :: alphapolcat,& + real(kind=8),dimension(:,:),allocatable :: alphapolcat, alphapolcat2, & epsheadcat,sig0headcat,sigiso1cat,sigiso2cat,rborn1cat,rborn2cat,& sigmap1cat,sigmap2cat,chis1cat,chis2cat,wquadcat,chipp1cat,chipp2cat,& epsintabcat,debaykapcat,chi1cat,chi2cat,sigmacat, nstatecat, epscat,&