removed initial temperature with OpenMM, fixes #757
authorBerk Hess <hess@kth.se>
Mon, 5 Mar 2012 10:43:48 +0000 (11:43 +0100)
committerBerk Hess <hess@kth.se>
Mon, 5 Mar 2012 10:43:48 +0000 (11:43 +0100)
Change-Id: Ifc661ce3ece3dfcd2e4bad862392b96d64e70c18

src/kernel/md_openmm.c

index bbc9d1d2dbcdc8803b5527d6e4798b775f3f3eb6..8adad4d4458fb941f5ca1c3e933a937ff207bd22 100644 (file)
@@ -300,7 +300,6 @@ double do_md_openmm(FILE *fplog,t_commrec *cr,int nfile,const t_filenm fnm[],
     if (MASTER(cr))
     {
         char tbuf[20];
-        fprintf(fplog,"Initial temperature: %g K\n",enerd->term[F_TEMP]);
         fprintf(stderr,"starting mdrun '%s'\n",
                 *(top_global->name));
         if (ir->nsteps >= 0)