X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Funres.F;h=053eec6ee1dacbd2eeffa4142d752ce3fb9a5c6f;hb=5d59d22a6ccf3230f2cd97c0cf3e4e39c93dce5d;hp=067f4d86dde998c07ac9d41693a1da6d16a876a5;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD/unres.F b/source/unres/src_MD/unres.F index 067f4d8..053eec6 100644 --- a/source/unres/src_MD/unres.F +++ b/source/unres/src_MD/unres.F @@ -52,7 +52,7 @@ c call memmon_print_usage() call init_task if (me.eq.king) - & write(iout,*)'### LAST MODIFIED 11/03/09 1:19PM by czarek' + & write(iout,*)'### LAST MODIFIED 03/28/12 23:29 by czarek' if (me.eq.king) call cinfo C Read force field parameters and job setup data call readrtns @@ -190,6 +190,7 @@ c--------------------------------------------------------------------------- common /srutu/ icall double precision energy(0:n_ene) double precision energy_long(0:n_ene),energy_short(0:n_ene) + double precision varia(maxvar) if (indpdb.eq.0) call chainbuild #ifdef MPI time00=MPI_Wtime() @@ -754,9 +755,11 @@ c--------------------------------------------------------------------------- C Conformational Space Annealling programmed by Jooyoung Lee. C This method works only with parallel machines! #ifdef MPI - call together +csa call together + write (iout,*) "CSA is not supported in this version" #else - write (iout,*) "CSA works on parallel machines only" +csa write (iout,*) "CSA works on parallel machines only" + write (iout,*) "CSA is not supported in this version" #endif return end