[gmx-users] all-bonds option

serdar durdagi durdagis at yahoo.de
Fri Aug 15 20:04:34 CEST 2008


Dear all,
 
I am using "all-bonds" option in order to fix all bond lengths in the system. 
 
However, during the energy minimization, a single C-C bond between two segments of drug changes from 1.53 to 1.80. This is the first time I faced with this kind of problem.
 
How can I fix it, is anybody has an idea?
 
Serdar 

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