subroutine Econstr_back_qlike
c MD with umbrella_sampling using Wolyne's distance measure as a constraint
- implicit real*8 (a-h,o-z)
+ implicit none
include 'DIMENSIONS'
include 'COMMON.CONTROL'
include 'COMMON.VAR'
include 'COMMON.MD'
+ include 'COMMON.QRESTR'
#ifndef LANG0
include 'COMMON.LANGEVIN'
#else
+#ifdef FIVEDIAG
+ include 'COMMON.LANGEVIN.lang0.5diag'
+#else
include 'COMMON.LANGEVIN.lang0'
#endif
+#endif
include 'COMMON.CHAIN'
include 'COMMON.DERIV'
include 'COMMON.GEO'
include 'COMMON.IOUNITS'
include 'COMMON.NAMES'
include 'COMMON.TIME1'
+ integer i,ii,j,k
+ double precision utheta_i,dtheta_i,expthet,ugamma_i,dgamma_i,
+ & expgam,usc_i,dxx,dyy,dzz,expsc
double precision sigmaang/0.1d0/,sigmadih /0.1d0/,sigmasc /0.1d0/
c double precision sigmaang/0.2d0/,sigmadih /0.4d0/,sigmasc /0.5d0/
double precision auxvec(maxres),auxtab(3,maxres),
& auxtab1(3,maxres),auxtabx(3,maxres)
+ double precision pinorm
Uconst_back=0.0d0
do i=1,nres
dutheta(i)=0.0d0