Hi,
the bad bond appear in the topology (.top) file.
veduardo.
Lab. de Fisicoquímica Molecular
Facultas de Ciencias
Universidad de Chile
From: nicegromacs
Sent: Wednesday, August 12, 2009 8:28 PM
To: 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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