X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fcontrol.F90;h=ff90290fb5343d6b3e3c324cb1829df26849160a;hb=d62d8388175880fb6700daba86794663aeb3a78d;hp=7ecc75775ce67d1eef8a67e16d62f205c152dcec;hpb=8ca97b16fe25b7053f258263899ba030572cc58f;p=unres4.git diff --git a/source/unres/control.F90 b/source/unres/control.F90 index 7ecc757..ff90290 100644 --- a/source/unres/control.F90 +++ b/source/unres/control.F90 @@ -237,11 +237,13 @@ ! ielep_nucl= 131 isidep_nucl=132 iscpp_nucl=133 - - + isidep_scbase=141 + isidep_pepbase=142 iliptranpar=60 itube=61 +! IONS + iion=401 #if defined(WHAM_RUN) || defined(CLUSTER) ! ! setting the mpi variables for WHAM @@ -1921,7 +1923,7 @@ #ifdef WHAM_RUN if (itype(i,1).ne.10) then #else - if (itype(i,1).ne.10 .and. itype(i,mnum).ne.ntyp1_molec(mnum)) then + if (itype(i,1).ne.10 .and. itype(i,mnum).ne.ntyp1_molec(mnum) .and. mnum.ne.5) then #endif nside=nside+1 ialph(i,1)=nvar+nside