[gmx-users] bad bond in polymer

[nicegromacs]

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 at 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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