[gmx-users] Re: some monomers get bonds among them

Justin A. Lemkul jalemkul at vt.edu
Tue Jul 14 13:24:44 CEST 2009


Please keep all Gromacs-related correspondence on the gmx-users list.

Gromacs ignores CONECT records when assigning bonds.  You must define bonds in 
the .rtp files.


Mohammad Ghahramanpour wrote:
> Hello Dear
> I thought you can draw your polymer (getting bonds between your 
> momomers) in hyperchem software and save in with PDB format.
> And then change your atom name in the PDB file as well as your force 
> field .rtp file.
> I think this might be usefull


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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