> The problem is: I have made 2000O steps of min prior to my 1ns MD at
> 600K and it worked good. However, I wanted to use my same minimized
> system prior to my 300K MD but it just terminates at the beginning.
With what mdin? With what output message?
> This happens both in vacuum and explicit solvent environment...
>
> any ideas?
Mistake in mdin or choice of inpcrd,prmtop for running sander.
Bill
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Received on Mon Oct 25 2004 - 16:53:00 PDT
