Thanks guys! I see I'm using an outdated manual... Tsjerk
On Wed, Nov 30, 2011 at 1:28 PM, Justin A. Lemkul <[email protected]> wrote: > > > Mark Abraham wrote: >> >> 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"); >> } >> > > According to manual Appendix A.4, the GMX_SUPPRESS_DUMP variable should also > work here. > > -Justin > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
