| try - cluster, and then as cluster group protein. Kay. On Sep 9, 2006, at 11:09 AM, C.W. Liang wrote: hi, all user: i performed the dimer simulation, and want to realize the interaction between two peptides. but frequently, i encountered this kind of problem: sometimes peptides moved out of the box, and sometimes they jumped back. i have tried so many way to pull them back with trjconv command, but still cause some unexpected problem. for example, peptides break to many parts ( with -pbc whole ) or diffuse out of box gradually ( with -pbc nojump ) with -ur or -center still not the trajectory i really want. i think maybe there are some tricks to perform. any suggestions for me ? thanks sooooooooooo much! _______________________________________________ Please don't post (un)subscribe requests to the list. Use the |
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