Hello,
We are trying to create a model of a carbon nanotube with simple carbon-like
chains attached around the entrance and exit of the nanotube. The problem is we
need nrexcl set to 3 in nanotube but wnat nrexcl=1 in the chains. We have
searched the GROMACS manual and user list extensively and have not found a
solution to this issue.
We would appreciate any advice on how to handle such a modeling situation.
Thanks you,
Bill Evans
Postdoctoral Research Associate
Rensselaer Polytechnic Inst.
Nanotechnology Center MRC 275A
110 8th St.
Troy, NY 12180
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