[gmx-users] CNT going outside during NVT

[soumadwip ghosh]

Dear Justin,
                 Thank u for your time. I would like to ask again about the
problem I'm facing. From my understanding, If the DNA is supposed to wrap
around the swCNT (i.e findings of other papers), should'nt I fix it inside
the box? I have a box in the center of which the DNA is kept and the CNT is
rather randomly placed along with the solvent molecules and ions. Do u
prefer me to use freeze group to fix the position of CNT or are you saying
that I should not worry about it since pbc is operative? Sorry I'm a newbie
and this CNT modelling is something I am unfamiliar with..


Regards,
Soumadwip Ghosh
IITB, Mumbai,
India