On Wed, Feb 02, 2005, Xin Wang wrote:
> Thank you for your reply. I found sander could not minimize the system you
> mentioned below with conjugate gradient either. I am wondering if our
> amber8 was installed properly or there is any internal limitation for atom
> number within a system for sander when using conj.grad..
Minimization of the rt system works fine for me. You will have to provide
information about what OS and compiler you have used. You may also have
to check smaller systems, to see if there is some obvious limit.
Also, be sure that your stacksize limit is either "unlimited" or very large.
.....dac
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Received on Wed Feb 02 2005 - 22:53:01 PST
