[gmx-users] minimization

Morteza Khabiri khabiri at greentech.cz
Wed Aug 12 14:49:18 CEST 2009

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
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 ......

As MARK suggest me I try to minimize monomer separately but the monomers
itself also have high energy and it is not possible to minimize them...

I change the forcefield from olps to gromacs and minimization work. I did
several minimization by gromacs forcefiled and then I tried to minimized
the system by OPLS but again the system start exploiding...
Is there any idea that why the minimization work by gromacs but not work
with opls?????
finally I should simulate my system by opls and if I want to do it my
system still not minimized for OPLS....
I will apprecite if there will be some idea for my problem


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