Hi Lal, Well, if you set the number of steps to 0, it should get you rid of any errors. But for the rest, the LINCS errors don't have to do with the length of the simulation but with what's in there.You can try and decrease the time step as is suggested by the program. But the LINCS error is likely indicative of something being wrong in your simulation setup Have a look at
http://wiki.gromacs.org/index.php/Errors#LINCS_warnings Also, please get your mind straight on running MD simulations. Trying to reduce the number of steps to avoid an error is not very scholarly. Best, Tsjerk On Mon, Mar 17, 2008 at 11:20 AM, s lal badshah <[EMAIL PROTECTED]> wrote: > Dear gromacs experts, > I have decrease the timesteps from 50,000 to 10,000 but still the error of > LINCS comes.where should I do correction? > regards, > Lal badshah/ > > > SYED LAL BADSHAH > M.Phil Scholar > NCE in Physical Chemistry, > University of Peshawar. > NWFP,Pakistan. > Cell # 03349060632. > > Send instant messages to your online friends http://uk.messenger.yahoo.com > _______________________________________________ > 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
