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
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