Hi Xavier, Have you checked the genome and made sure your potato did not suffer from any infection? This will have a significant effect on the melting temperature. Maybe it helps if you link an image of the potato at the end of the simulation.
Tsjerk On Sun, May 11, 2008 at 12:23 AM, Xavier Periole <[EMAIL PROTECTED]> wrote: > > Dear grompp users, > > I can not reproduce the experimental melting temperature of the > potato from the south east of my region! Even at 1 atm, for which > the result is known. > > What is wrong with my trajectory? > > please help, > XAvier > > ----------------------------------------------------- > XAvier Periole - PhD > > NMR & Molecular Dynamics Group > University of Groningen > The Netherlands > http://md.chem.rug.nl/~periole > ----------------------------------------------------- > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users@gromacs.org 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
