X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadrtns_CSA.F;h=89ddeaca181c1bb74aa8bbc8bf291f8661211f37;hp=c691135372fb3c3e00fe569bceb608cfc473e22c;hb=c1827efa66e69c93c6e2b2e7420b06b430c3550a;hpb=9ab6a6c94ffa93357b777d7a01615bc2cb964622 diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F index c691135..89ddeac 100644 --- a/source/unres/src_MD-M/readrtns_CSA.F +++ b/source/unres/src_MD-M/readrtns_CSA.F @@ -145,6 +145,13 @@ C constrains on theta angles WITH_THETA_CONSTR is the keyword AFMlog=(index(controlcard,'AFM')) selfguide=(index(controlcard,'SELFGUIDE')) print *,'AFMlog',AFMlog,selfguide,"KUPA" + call readi(controlcard,'TUBEMOD',tubelog,0) + write (iout,*) TUBElog,"TUBEMODE" + if (TUBElog.gt.0) then + call reada(controlcard,"XTUBE",tubecenter(1),0.0d0) + call reada(controlcard,"YTUBE",tubecenter(2),0.0d0) + call reada(controlcard,"RTUBE",tubeR0,0.0d0) + endif call readi(controlcard,'IPRINT',iprint,0) C SHIELD keyword sets if the shielding effect of side-chains is used C 0 denots no shielding is used all peptide are equally despite the @@ -645,6 +652,7 @@ C Read weights of the subsequent energy terms. call reada(weightcard,'TEMP0',temp0,300.0d0) call reada(weightcard,'WSHIELD',wshield,1.0d0) call reada(weightcard,'WLT',wliptran,0.0D0) + call reada(weightcard,'WTUBE',wtube,1.0D0) if (index(weightcard,'SOFT').gt.0) ipot=6 C 12/1/95 Added weight for the multi-body term WCORR call reada(weightcard,'WCORRH',wcorr,1.0D0) @@ -2131,6 +2139,8 @@ C Get parameter filenames and open the parameter files. open (irotam_pdb,file=rotname_pdb,status='old',action='read') #endif #endif + call getenv_loc('TUBEPAR',tubename) + open (itube,file=tubename,status='old',readonly) #ifndef OLDSCP C C 8/9/01 In the newest version SCp interaction constants are read from a file