Yes, I did not know that this functionality was going into amber 10 sander,
so I did not put it into pmemd 10, unfortunately (because it is definitely a
source of some confusion). I think Ross' group put it into pmemd 11.
Regards - Bob Duke
----- Original Message -----
From: "case" <case.biomaps.rutgers.edu>
To: "AMBER Mailing List" <amber.ambermd.org>
Sent: Tuesday, July 27, 2010 3:02 PM
Subject: Re: [AMBER] random number seed - range
> On Tue, Jul 27, 2010, Keith Van Nostrand wrote:
>>
>> Because of correlation in the data, I had started using ig = -1 as
>> well. I am
>> doing Langevin dynamics with Amber 10 pmemd, and my output shows ig = -1
>> everywhere:
>
> As far as I can tell from a quick code check, the special handling of
> ig=-1
> in pmemd did not occur until Amber11. If anyone has more detailed info,
> they
> can post it here.
>
> ....dac
>
>
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Received on Tue Jul 27 2010 - 12:30:05 PDT
