[gmx-users] CNT

Justin A. Lemkul jalemkul at vt.edu
Wed Jan 5 02:09:56 CET 2011

mustafa bilsel wrote:
> Hi all,
> Could you tell me a program to obtain topol.top for a CNT?
> In CNT.pdb residues are efined as UNK.

g_x2top is probably your best bet.  Please have a thorough look through both the 
Gromacs site and the mailing list archive.  Issues related to CNTs (especially 
their topologies) have been posted countless times.


> best wishes
> mustafa


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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