! Weighed Histogram Analysis Method (WHAM) code
! Written by A. Liwo based on the work of Kumar et al.,
! J.Comput.Chem., 13, 1011 (1992)
! Weighed Histogram Analysis Method (WHAM) code
! Written by A. Liwo based on the work of Kumar et al.,
! J.Comput.Chem., 13, 1011 (1992)
integer MaxPoint,MaxPointProc
parameter (MaxPoint=MaxStr,
& MaxPointProc=MaxStr_Proc)
integer MaxPoint,MaxPointProc
parameter (MaxPoint=MaxStr,
& MaxPointProc=MaxStr_Proc)
do iparm=1,nParmSet
#ifdef DEBUG
write (iout,'(2i5,21f8.2)') i,iparm,
do iparm=1,nParmSet
#ifdef DEBUG
write (iout,'(2i5,21f8.2)') i,iparm,
- & (enetb(k,i,iparm),k=1,21)
+ & (enetb(k,i,iparm),k=1,22)
& ftprim(2)*wel_loc*eel_loc+ftprim(2)*wtor_d*etors_d+
& ftprim(1)*wsccor*esccor
ebis=ftbis(1)*wsc*(evdw+ft(6)*evdw_t)
& ftprim(2)*wel_loc*eel_loc+ftprim(2)*wtor_d*etors_d+
& ftprim(1)*wsccor*esccor
ebis=ftbis(1)*wsc*(evdw+ft(6)*evdw_t)