nicegromacs wrote:
Hi,
the bad bond appear in the topology (.top) file.
Then it is something you have added. If you want any useful advice, post the
.rtp entries you are using.
-Justin
veduardo.
Lab. de Fisicoquímica Molecular
Facultas de Ciencias
Universidad de Chile
*From:* nicegromacs <mailto:nicegrom...@live.cl>
*Sent:* Wednesday, August 12, 2009 8:28 PM
*To:* gmx-users@gromacs.org <mailto:gmx-users@gromacs.org>
*Subject:* [gmx-users] bad bond in polymer
Hi gmx-users,
I am building a polymer and I've added the monomer unit to the
.rtp file. The final structure appears with an undesired bond between
the monomer units at the extremes of the polymer.
How can I prevent the monomers at the end forming the bond?
I have read other post like
http://www.mail-archive.com/gmx-users@gromacs.org/msg21133.html but
can not avoid this problem .
Thank you in advance
veduardo.
Lab. de Fisicoquímica Molecular
Facultas de Ciencias
Universidad de Chile
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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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