X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FMREMD.F;h=026c1b6f389f585a2036ddef2b397c03dbe62ca4;hb=e32d744ff2bf48094d0c1dbec7f3e704c713d244;hp=b7d2d1fbeeef80784d6fd17a6cdd7e3bf2f24711;hpb=3c9ac45fb164c2a238ad43be563fa239bc10a114;p=unres.git diff --git a/source/unres/src_MD-M/MREMD.F b/source/unres/src_MD-M/MREMD.F index b7d2d1f..026c1b6 100644 --- a/source/unres/src_MD-M/MREMD.F +++ b/source/unres/src_MD-M/MREMD.F @@ -959,7 +959,7 @@ cd write(iout,*) "########",ii cd write(iout,*) "i=",i,i_temp,i_mult,i_iset,i_mset - i_dir=iran_num(1,3) + i_dir=iran_num(1,3) cd write(iout,*) "i_dir=",i_dir if(i_dir.eq.1 .and. remd_m(i_temp+1).gt.0 )then @@ -1170,7 +1170,7 @@ co & " rescaling weights with temperature",t_bath stdfp=dsqrt(2*Rb*t_bath/d_time) do i=1,ntyp stdfsc(i)=dsqrt(2*Rb*t_bath/d_time) - enddo + enddo cde write(iout,*) 'REMD after',me,t_bath time08=MPI_WTIME() @@ -1871,4 +1871,4 @@ c & (d_restart1(j,i+2*nres*il),j=1,3) if(me.eq.king) close(irest2) return end - +