[gmx-users] trjconv with multiple chains problem

[yuanyuan wang]

dear all,
         I am doing a simulation that have many chains in a box , and I can find a center for them after serval tries.
         I use almost every option of trjconv,-pbc mol,atom,res,whole,nojump , -ur compact, -center , -box to got bigger box, and -boxcenter, -fit ..
         still some chain cannot convert into box. them jump from one box to another ,
         is there any ways that they not jump to another box?
         thanks a lot.
 
                                                                                          yuanyuan


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110107/0c2901a2/attachment.html>