Hi All, I am trying to build a bilayer using packmol. The composition is BTMAC, Stearyl alcohol and water. I am using ffCADMOL force-field. By packmol when I am trying to build the bilayer initial structure, the molecules are not straight, but BTMAC and stearyl alcohol are in zig-zag fashion. I tried with various initial structure where the z-axis would be longer. But it creates a space (gap) between the bilayer, still the molecules are not straight.. If I try to minimize the energy of the system in GROMACS it is blowing up. Any suggestion regarding the packing of the structure would be highly appreciated.
Thanks and Regards, Ananya. _______________________________________________ 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
