[gmx-users] trjconv with multiple chains problem

yuanyuan wang yilin3201 at 126.com
Fri Jan 7 03:27:13 CET 2011

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.

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