X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadrtns_CSA.F;h=de4b92e4edfd217770c0a87f7a9281e7c5f0dab0;hb=2ec03757b68a8fb1a604a7f84f83086291fc75db;hp=265b705389cf645f5f131c4c128559bfb539ea84;hpb=caf0eb98cd370f594b1990530fe14e0e823988c6;p=unres.git diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F index 265b705..de4b92e 100644 --- a/source/unres/src_MD-M/readrtns_CSA.F +++ b/source/unres/src_MD-M/readrtns_CSA.F @@ -213,7 +213,13 @@ cfmc modecalc=10 i2ndstr=index(controlcard,'USE_SEC_PRED') gradout=index(controlcard,'GRADOUT').gt.0 gnorm_check=index(controlcard,'GNORM_CHECK').gt.0 +C DISTCHAINMAX become obsolete for periodic boundry condition call reada(controlcard,'DISTCHAINMAX',distchainmax,5.0d0) +C Reading the dimensions of box in x,y,z coordinates + call reada(controlcard,'BOXX',boxxsize,100.0d0) + call reada(controlcard,'BOXY',boxysize,100.0d0) + call reada(controlcard,'BOXZ',boxzsize,100.0d0) + if (me.eq.king .or. .not.out1file ) & write (iout,*) "DISTCHAINMAX",distchainmax