Dear GMX users, I am studying a system of a capped nanotube with a polymer in water. When I use genbox, some water will be inside of the nanotube. This might cause bad contact of water molecules inside of nanotube. Does anyone know how to control the total number of water molecules inside the nanotube? In general, could someone give me suggestion how to prevent the program crash because of bad contacts? I am having this problem now. I have tried to use position constraint to relax water and heat the system from 100K. It doesn't help. Any suggestion will be highly appreciated.
All the best! Dongsheng _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
