X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FDIMENSIONS;h=5151ff79a3cefb3195c3fc8d4c19d3040c185b75;hb=428260002283b6a07500e4b81c4182423fd2f26e;hp=e9c0e9bb91108053eab120256000daf9e6d8c15f;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD/DIMENSIONS b/source/unres/src_MD/DIMENSIONS index e9c0e9b..5151ff7 100644 --- a/source/unres/src_MD/DIMENSIONS +++ b/source/unres/src_MD/DIMENSIONS @@ -54,7 +54,7 @@ C virtual-bond angle bending potentials & mmaxtheterm=maxtheterm) c Max number of torsional terms in SCCOR integer maxterm_sccor - parameter (maxterm_sccor=3) + parameter (maxterm_sccor=6) C Max. number of lobes in SC distribution integer maxlob parameter (maxlob=4) @@ -106,18 +106,18 @@ C Maximum number of groups of angles C Maximum number of chains integer mxch parameter (mxch=1) -C Maximum number of generated conformations - integer mxio - parameter (mxio=2) -C Maximum number of n7 generated conformations - integer mxio2 - parameter (mxio2=2) -C Maximum number of moves (n1-n8) - integer mxmv - parameter (mxmv=18) -C Maximum number of seed - integer max_seed - parameter (max_seed=1) +csaC Maximum number of generated conformations +csa integer mxio +csa parameter (mxio=2) +csaC Maximum number of n7 generated conformations +csa integer mxio2 +csa parameter (mxio2=2) +csaC Maximum number of moves (n1-n8) +csa integer mxmv +csa parameter (mxmv=18) +csaC Maximum number of seed +csa integer max_seed +csa parameter (max_seed=1) C Maximum number of timesteps for which stochastic MD matrices can be stored integer maxflag_stoch parameter (maxflag_stoch=0)