Okay, will do for pmemd 11. Thanks - Bob
----- Original Message -----
From: "David A. Case" <case.biomaps.rutgers.edu>
To: "AMBER Developers Mailing List" <amber-developers.ambermd.org>
Sent: Wednesday, January 07, 2009 9:44 PM
Subject: Re: [AMBER-Developers] inconsistency in sander manual and
codeforrestart velocities
> 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 - 01:15:29 PST
