On Wed, Jan 07, 2009, Robert Duke wrote:
> Okay, I see your point about this being wierd behaviour for ntx > 3,
> irest 0. So the most simple solution is to disallow this combo - error
> exit when you hit it.
Yes, this is probably better than other alternatives, since it forces
users to think about what they really want. Plus, it's trivial to make
both sander and pmemd do the same thing, if all they need to do is exit
with an error message.
...dac
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Received on Fri Jan 09 2009 - 01:15:25 PST
