[gmx-developers] two init_md functions?

Michael Shirts mrshirts at gmail.com
Thu Dec 17 00:49:25 CET 2009

I just noticed there are two init_md functions, one defined in
md/kernel/runner.c, and one in defined in src/mdlib/sim_util.c.

The runner.c one doesn't actually seem to be used.  Should this be removed?

src/kernel/runner.c:void init_md(t_commrec *cr,t_inputrec *ir,real *t,real *t0,
src/mdlib/sim_util.c:void init_md(FILE *fplog,

src/kernel/md.c:    init_md(fplog,cr,ir,oenv,&t,&t0,&state_global->lambda,&lam0,
src/tools/calcpot.c:  init_md(fplog,*cr,inputrec,oenv,&t,&t0,&lam,&lam0,

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