What thread is this in response to? Is this back to the sander issue you
sent an email about earlier? If so, there were several things suggested
that you could look into.
If it's about the ptraj issue this thread was actually talking about, then
look into the imaging stuff I suggested in a previous post to this thread.
All the best,
Jason
On Thu, Mar 24, 2011 at 12:31 AM, 姜笑楠 <jiangxn.mail.sioc.ac.cn> wrote:
> Hello,
> I removed all the spaces and the result is the same as before.
>
> input file
>
>
> output file
>
>
>
>
>
>
> 发件人： Daniel Roe
> 发送时间： 2011-03-24 15:02:43
> 收件人： AMBER Mailing List
> 抄送：
> 主题： Re: [AMBER] odd output from rms measurement
>
> Hi,
> On Wed, Mar 23, 2011 at 8:35 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
> > Dan or Tom would probably know this better than me, but it seems that the
> > existence of spaces in the mask definition (without using "" to encompass
> > them) could be problematic, as the parser would interpret that as
> different
> > tokens. No guarantee this is true, since I'm not a ptraj expert.
> Just to confirm, Jason is correct on this; ptraj will interpret
> :1-112 .CA, C, N
> as four separate tokens and will only use ":1-112" as the mask. Remove
> the spaces to get ptraj to process the entire mask.
> -Dan
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Mar 24 2011 - 09:00:06 PDT
