Thanks, for your help. Em seg, 11 de mar de 2019 às 19:31, Justin Lemkul <jalem...@vt.edu> escreveu:
> > > On 3/11/19 5:45 PM, Mario Andres Rodriguez Pineda wrote: > > If i don't use -maxwarn option they send me the same error. > > Omitting -maxwarn won't fix problems, but it is a very bad habit to > casually use -maxwarn as it overrides critical problems with your input. > > > I see also this: > > WARNING 1 [file topol.top, line 23986]: > > You are using Ewald electrostatics in a system with net charge. This > can > > lead to severe artifacts, such as ions moving into regions with low > > dielectric, due to the uniform background charge. We suggest to > > neutralize your system with counter ions, possibly in combination > with a > > physiological salt concentration. > > Cheking the archive toppol.top this line is empty > > > > I'm try to minimize the energy of my protein in vacum, whithout ions or > > solvent > > As the message says, you shouldn't be using PME for this system. In > vacuum, you should be using plain cutoff electrostatics with infinite > cutoffs (rlist=rcoulomb=rvdw=0). > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Assistant Professor > Office: 301 Fralin Hall > Lab: 303 Engel Hall > > Virginia Tech Department of Biochemistry > 340 West Campus Dr. > Blacksburg, VA 24061 > > jalem...@vt.edu | (540) 231-3129 > http://www.thelemkullab.com > > ================================================== > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- *MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA* *Estudiante Doctorado en Biotecnología* *UNAL- MEDELLÍN/ IQ- USP* *Grupo de Pesquisa em Ressonância Magnética Nuclear de Biomoléculas * *Av. Prof. Lineu Prestes 748, Sao Paulo SP, 05508-000, Tel: + 55 11 3091 1475* -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.