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
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