X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc-HCD-5D%2FCOMMON.LANGEVIN;h=976d17a55cb8846d3c14ab9ece37a9b982f1f8c1;hb=b8a8a950fcfe48a76002af386e3f4de3b510760c;hp=6a703e260ced0a3be053d48eb7cd93e703b4e4b3;hpb=020e579626d686ec20ecd9f0cc4c8313f474e152;p=unres.git diff --git a/source/unres/src-HCD-5D/COMMON.LANGEVIN b/source/unres/src-HCD-5D/COMMON.LANGEVIN index 6a703e2..976d17a 100644 --- a/source/unres/src-HCD-5D/COMMON.LANGEVIN +++ b/source/unres/src-HCD-5D/COMMON.LANGEVIN @@ -1,3 +1,13 @@ +! Langevin dynamics parameters + logical surfarea + integer reset_fricmat + double precision scal_fric,rwat,etawat,gamp, + & gamsc(ntyp1),stdfp,stdfsc(ntyp),stdforcp(MAXRES), + & stdforcsc(MAXRES),pstok,restok(ntyp+1),cPoise,Rb + common /langevin/ pstok,restok,gamp,gamsc, + & stdfp,stdfsc,stdforcp,stdforcsc,rwat,etawat,cPoise,Rb,surfarea, + & reset_fricmat +! Quantities used in Langevin dynamics calculations double precision friction(3,0:MAXRES2),stochforc(3,0:MAXRES2), & fricmat(MAXRES2,MAXRES2),fric_work(MAXRES6), & stoch_work(MAXRES6),