Dear users,
I am trying to randomize the positions of Na and Cl ions around the
solute using both ptraj and cpptraj. However, the restart file generated by
ptraj has box information in it, whereas cpptraj is not writing any box
information to the restart file generated using trajout.. What could be the
reason behind this behaviour?
these are the command used :
trajin ternary.pdb
randomizeions .Na+ around :1-1219 by 5.0 overlap 3.5
randomizeions .Cl- around :1-1219 by 5.0 overlap 3.5
trajout ternary-random.rst restart
Thanks
Asmi
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Feb 20 2013 - 03:00:02 PST
