[gmx-users] minimization

Mark Abraham Mark.Abraham at anu.edu.au
Fri Aug 7 02:32:12 CEST 2009

Morteza Khabiri wrote:
> Dear users
> I have a dimer protein which I want to minimized it..unfortunately the
> protein is in high energy level and before starting to minimize it
> explode.
> I already went through users email and also wiki gromacs and also I tried
> all the way like changing time step, change coulomb type ,... but they did
> not work and still the protein at the first step of minimization
> exploding......
> is there any suggestion to get ride of from this problem???

Simplify the system to reduce it to something that does work - like just 
a monomer without solvent, then work up to more complex things.


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