[gmx-users] about the bond connection between different groups

[Justin A. Lemkul]

He, Yang wrote:
> Hi all users,
> 
> I wonder whether it is allowed to define the bond connection between different group in gromacs. Suppose atom A is in group1 and there is another atom B in group2 .Then, I want to define bond between atom A and B. I am not sure whether this is available in gromcas.
> 

You'll have to elaborate on what you want to do.  Bonds are easily defined 
within the topology.  Bonds between distinct molecules require a merged 
topology, which is a bit more complicated.

-Justin

> Thank you for  any suggestions about that.
> 
> Yang
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-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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