update new files
[unres.git] / source / unres / src-HCD-5D / COMMON.LANGEVIN
1 ! Langevin dynamics parameters
2       logical surfarea
3       integer reset_fricmat
4       double precision scal_fric,rwat,etawat,gamp,
5      & gamsc(ntyp1),stdfp,stdfsc(ntyp),stdforcp(MAXRES),
6      & stdforcsc(MAXRES),pstok,restok(ntyp+1),cPoise,Rb
7       common /langevin/ pstok,restok,gamp,gamsc,
8      & stdfp,stdfsc,stdforcp,stdforcsc,rwat,etawat,cPoise,Rb,surfarea,
9      & reset_fricmat
10 ! Quantities used in Langevin dynamics calculations
11        double precision friction(3,0:MAXRES2),stochforc(3,0:MAXRES2),
12      & fricmat(MAXRES2,MAXRES2),fric_work(MAXRES6),
13      & stoch_work(MAXRES6),
14      & fricgam(MAXRES6),fricvec(MAXRES2,MAXRES2),
15      & pfric_mat(MAXRES2,MAXRES2),vfric_mat(MAXRES2,MAXRES2),
16      & afric_mat(MAXRES2,MAXRES2),prand_mat(MAXRES2,MAXRES2),
17      & vrand_mat1(MAXRES2,MAXRES2),vrand_mat2(MAXRES2,MAXRES2),
18      & pfric0_mat(MAXRES2,MAXRES2,0:maxflag_stoch),
19      & afric0_mat(MAXRES2,MAXRES2,0:maxflag_stoch),
20      & vfric0_mat(MAXRES2,MAXRES2,0:maxflag_stoch),
21      & prand0_mat(MAXRES2,MAXRES2,0:maxflag_stoch),
22      & vrand0_mat1(MAXRES2,MAXRES2,0:maxflag_stoch),
23      & vrand0_mat2(MAXRES2,MAXRES2,0:maxflag_stoch),
24      & mt1(maxres2,maxres2),mt2(maxres2,maxres2),mt3(maxres2,maxres2)
25        logical flag_stoch(0:maxflag_stoch)
26       common /langforc/ friction,stochforc,
27      & fricmat,fric_work,fricgam,stoch_work,fricvec,vrand_mat1,
28      & vrand_mat2,prand_mat,vfric_mat,afric_mat,pfric_mat,
29      & pfric0_mat,afric0_mat,vfric0_mat,prand0_mat,vrand0_mat1,
30      & vrand0_mat2,flag_stoch
31       common /langmat/ mt1,mt2,mt3