-#define DEBUG
+c#define DEBUG
subroutine MREMD
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
time02=MPI_WTIME()
synflag=.false.
- write(iout,*) 'REMD before',me,t_bath
+c write(iout,*) 'REMD before',me,t_bath
c call mpi_gather(t_bath,1,mpi_double_precision,
c & remd_t_bath,1,mpi_double_precision,king,
stdfsc(i)=dsqrt(2*Rb*t_bath/d_time)
enddo
+c Compute the standard deviations of stochastic forces for Langevin dynamics
+c if the friction coefficients do not depend on surface area
+ if (lang.gt.0 .and. .not.surfarea) then
+ do i=nnt,nct-1
+ stdforcp(i)=stdfp*dsqrt(gamp)
+ enddo
+ do i=nnt,nct
+ if (itype(i).ne.ntyp1) stdforcsc(i)=stdfsc(iabs(itype(i)))
+ & *dsqrt(gamsc(iabs(itype(i))))
+ enddo
+ endif
+
cde write(iout,*) 'REMD after',me,t_bath
time08=MPI_WTIME()
if (me.eq.king .or. .not. out1file) then