X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fparmread.F;h=5001b6b0599227ce732f37d19d202376d7960dad;hp=a38147fee5765193c998e045a5135553fdf4d7c6;hb=36865e3203724663beeb1f60abdbafbec07b1019;hpb=c1827efa66e69c93c6e2b2e7420b06b430c3550a diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F index a38147f..5001b6b 100644 --- a/source/unres/src_MD-M/parmread.F +++ b/source/unres/src_MD-M/parmread.F @@ -1367,7 +1367,7 @@ c augm(i,j)=0.5D0**(2*expon)*aa(i,j) epspeptube=dabs(epspeptube) pep_aa_tube=4.0d0*epspeptube*sigmapeptube**2 pep_bb_tube=-sigeps*4.0d0*epspeptube*sigmapeptube - write(iout,*) pep_aa_tube,pep_bb_tube + write(iout,*) pep_aa_tube,pep_bb_tube,tubetranenepep do i=1,ntyp read(itube,*) epssctube,sigmasctube sigmasctube=sigmasctube**6 @@ -1375,7 +1375,7 @@ c augm(i,j)=0.5D0**(2*expon)*aa(i,j) epssctube=dabs(epssctube) sc_aa_tube_par(i)=4.0d0*epssctube*sigmasctube**2 sc_bb_tube_par(i)=-sigeps*4.0d0*epssctube*sigmasctube - write(iout,*) sc_aa_tube_par(i), sc_bb_tube_par(i) + write(iout,*) sc_aa_tube_par(i), sc_bb_tube_par(i),tubetranene(i) enddo #ifdef OLDSCP