compareMtopAB(stdout, mtop[0], ftol, abstol);
}
}
+ delete ir[0];
+ delete ir[1];
}
static void comp_trx(const gmx_output_env_t* oenv, const char* fn1, const char* fn2, gmx_bool bRMSD, real ftol, real abstol)
{
fprintf(stderr, "Please give me TWO trajectory (.xtc/.trr/.tng) files!\n");
}
+ output_env_done(oenv);
fn1 = opt2fn_null("-s1", NFILE, fnm);
fn2 = opt2fn_null("-s2", NFILE, fnm);