X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fparmread.F;h=8fa2bad53e9100a439ea2fd9e7dd6702e8d1956c;hb=8b7bd55106cb32f11fb7c86538f8f18f2f8aff5f;hp=a38147fee5765193c998e045a5135553fdf4d7c6;hpb=0cda1be1a3786bb92473b33bf4694c86e35e2407;p=unres.git diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F index a38147f..8fa2bad 100644 --- a/source/unres/src_MD-M/parmread.F +++ b/source/unres/src_MD-M/parmread.F @@ -1361,21 +1361,21 @@ c augm(i,j)=0.5D0**(2*expon)*aa(i,j) enddo enddo write(iout,*) "tube param" - read(itube,*) epspeptube,sigmapeptube + read(itube,*) epspeptube,sigmapeptube,tubetranenepep sigmapeptube=sigmapeptube**6 sigeps=dsign(1.0D0,epspeptube) 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 + read(itube,*) epssctube,sigmasctube,tubetranene(i) sigmasctube=sigmasctube**6 sigeps=dsign(1.0D0,epssctube) 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