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.
Mark
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