X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FDIMENSIONS;h=281c414699ca3f0d8ecc892625b678c4b747d047;hb=a67fb1c3d80e370d951bfa338356af720229eb6c;hp=ec026c74f63bd38f3a67c7345f9d0ff7e147d6c1;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/wham/src/DIMENSIONS b/source/wham/src/DIMENSIONS index ec026c7..281c414 100644 --- a/source/wham/src/DIMENSIONS +++ b/source/wham/src/DIMENSIONS @@ -6,15 +6,15 @@ ******************************************************************************** c implicit real*8 (a-h,o-z) C Max. number of processors. -c parameter (maxprocs=128) +C parameter (maxprocs=128) C Max. number of fine-grain processors -c parameter (max_fg_procs=maxprocs) +C parameter (max_fg_procs=maxprocs) C Max. number of coarse-grain processors c parameter (max_cg_procs=maxprocs) C Max. number of AA residues integer maxres -c parameter (maxres=250) - parameter (maxres=400) + parameter (maxres=250) +c parameter (maxres=400) C Appr. max. number of interaction sites integer maxres2 parameter (maxres2=2*maxres) @@ -45,7 +45,7 @@ C and the number of terms in double torsionals parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8) c Max number of torsional terms in SCCOR integer maxterm_sccor - parameter (maxterm_sccor=3) + parameter (maxterm_sccor=6) C Max. number of residue types and parameters in expressions for C virtual-bond angle bending potentials integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,