[gmx-users] Minimization problem

tprakci at ttnet.net.tr tprakci at ttnet.net.tr
Fri Dec 23 09:20:06 CET 2005

Hi gmx-users, 
I am performing minimizaiton on a co-factor. (FAD) I set up the topology and run 
the process. No problem for these. But at the end, the resultant structure shows 
that 2 bonds are broken. These occurs repeatedly and does not resolve with 
changing mdp options. I also used LINCS to keep the bonds. 
In addition the rest of the molecule shows no considerable improvement.I will be 
glad to hear any contributions. Thanks. 
Mustafa Toprakci 

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