> i have a problem that on unfolding simulation my protein unfolds quickly > within 500ps 70% and rest stable in entire simulation as this is the > state of equilibrium in which gromacs equilibrate the system ,so we > wann'a do an equilibrium MD for 1ns than have to extend to 6ns, it looks > like hard because when we start a extended simulation,it takes previous > .tpr file,
The .tpr file is just a precompiled binary file for mdrun. Using grompp you can make any. tpr one for any set of grompp.mdp, conf.gro and topol.top you like. -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq., 4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ 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
