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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--
========================================
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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