On Tue, Jul 2, 2013 at 1:08 AM, 전선희 <jeonsunny.naver.com> wrote:
> Hello.
> I am student in South Korea. A few month ago, I'm beginning Amber10.
> Previously, input file which someone used in Amber7 is not working in
> Amber 10.
> Error message appears...like this..
>
> Here is the input file:
>
> 11mer minimization
> &cntrl
>
Make sure this is just "&cntrl" not &cntrl (the latter being the HTML
tag for the ampersand). I'm not sure if it got mangled in the email or
not...
> imin = 1,
> maxcyc = 2000,
> ncyc = 1000,
> ntb = 1,
> ntr = 1,
> cut = 10.0,
> restraint_wt=1.0,
>
This last variable does nothing. When you use the GROUP-style input, like
below, restraint_wt is ignored. I would suggest deleting it.
> /
> Hold the DNA fixed
> 500.0
>
This is the real restraint weight (500 kcal/mol/Ang^2).
> RES 1 22
> END
> END
>
> error in reading namelist cntrl
>
> Could you help me to solve this problem..
> I just send you this mail even though I don't know whom I can ask this
> problem...
> Thank you for reading my e-mail..
>
> jeonsunny님의 블로그
> 안녕하세요.
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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 Tue Jul 02 2013 - 04:00:03 PDT
