Re: [AMBER-Developers] ntb vs ifbox?

From: Yong Duan <duan.ucdavis.edu>
Date: Sun, 04 Dec 2011 22:45:40 -0800

That's exactly what I had in mind :).

yong

On 12/4/11 6:13 PM, "case" <case.biomaps.rutgers.edu> wrote:

>On Sun, Dec 04, 2011, Yong Duan wrote:
>>
>> It's so easy to mess up now. If one accidentally sets wrong ntp, you'd
>> have to restart.
>
>Did you mean "ntb" here? I don't know how to prevent people from having
>to set the correct value for ntp.
>
>I think the "ntb" variable is redundant, since its proper value can be
>determined by examining IFBOX and ntp. Keeping in mind backwards
>compatability the best approach I see is this:
>
>1. Calculate ntb from IFBOX and ntp;
>2. Exit with an error message if the user's input ntb is different from
> that calculated.
>3. Update as many of the example scripts and tutorials as we can to avoid
> using ntb at all.
>
>This means that correct values of ntb (unlike correct values of scnb/scee)
>are permitted but not required, in order to prevent lots of older scripts
>from breaking.
>
>[This may be what Yong and Jason are advocating already.....]
>
>...dac
>
>
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Received on Sun Dec 04 2011 - 23:00:04 PST
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