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<DIV><FONT size=2>hi, all user:</FONT></DIV>
<DIV> </DIV>
<DIV><FONT size=2>i performed the dimer simulation, and want to
realize the interaction between two peptides.</FONT></DIV>
<DIV><FONT size=2>but frequently, i </FONT> <FONT size=2>encountered this
kind of problem: sometimes peptides moved out of the box, and sometimes
they jumped back.</FONT></DIV>
<DIV><FONT size=2>i have tried so many way to pull them back with trjconv
command, but still cause some unexpected problem.</FONT></DIV>
<DIV><FONT size=2>for example, peptides break to many parts ( with -pbc whole )
or diffuse out of box gradually ( with -pbc nojump )</FONT></DIV>
<DIV><FONT size=2>with -ur or -center still not the trajectory i really want. i
think maybe there are some tricks to perform.</FONT></DIV>
<DIV><FONT size=2>any suggestions for me ? thanks sooooooooooo
much!</FONT></DIV></BODY></HTML>