Ricardo, You're doing something wrong.
(Also see: http://catb.org/esr/faqs/smart-questions.html) Best, Tsjerk On 9/18/07, Ricardo Gobato <[EMAIL PROTECTED]> wrote: > > ack Off! I just backed up step42.pdb to ./#step42.pdb.3# > > Back Off! I just backed up step43.pdb to ./#step43.pdb.1# > Wrote pdb files with previous and current coordinates > Step= 43, Dmax= 2.7e-01 nm, Epot= -1.73254e+22 Fmax= inf, atom= > 211 > ------------------------------------------------------- > Program mdrun, VERSION 3.3.1 > Source code file: nsgrid.c, line: 226 > > Range checking error: > Explanation: During neighborsearching, we assign each particle to a grid > based on its coordinates. If your system contains collisions or parameter > errors that give particles very high velocities you might end up with some > coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot > put these on a grid, so this is usually where we detect those errors. > Make sure your system is properly energy-minimized and that the potential > energy seems reasonable before trying again. > > Variable ci has value -2147483648. It should have been within [ 0 .. 729 ] > Please report this to the mailing list ([email protected]) or > [EMAIL PROTECTED] > > > > How make for minimization energy ? > Please anyone help me. > > > > > ________________________________ > Receba GRÁTIS as mensagens do Messenger no seu celular quando você estiver > offline. Conheça o MSN Mobile! Cadastre-se já! > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
