[gmx-users] Suppress writing step*.pdb files

[Mark Abraham]

On 30/11/2011 9:56 PM, Tsjerk Wassenaar wrote:
> Hey :)
>
> I think I recall there was a way to suppress writing step*.pdb files,
> but I couldn't find it. Anyone know from the top of his/her head?
> Otherwise I'll go and check the source...
> Oh, trust me... I know what I'm doing ;) Even though it's insane... :D
>

 From src/mdlib/constr.c:

     constr->maxwarn = 999;
     env = getenv("GMX_MAXCONSTRWARN");
     if (env)
     {
         constr->maxwarn = 0;
         sscanf(env,"%d",&constr->maxwarn);
         if (fplog)
         {
             fprintf(fplog,
                     "Setting the maximum number of constraint warnings 
to %d\n",
                     constr->maxwarn);
         }
         if (MASTER(cr))
         {
             fprintf(stderr,
                     "Setting the maximum number of constraint warnings 
to %d\n",
                     constr->maxwarn);
         }
     }
     if (constr->maxwarn < 0 && fplog)
     {
         fprintf(fplog,"maxwarn < 0, will not stop on constraint errors\n");
     }

Mark