Re: [AMBER] About cntrl error...please help..

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 01 Jul 2013 22:20:33 -0700

Hi Jeon,

How many spaces do you have before the &cntrl? It should be exactly one
space. In your example it looks like you have 2. You should also have
exactly 1 space before the / but in your example it looks like you have
zero.

All the best
Ross



On 7/1/13 10:08 PM, "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
>
> &amp;cntrl
>
> imin = 1,
>
> maxcyc = 2000,
>
> ncyc = 1000,
>
> ntb = 1,
>
> ntr = 1,
>
> cut = 10.0,
>
> restraint_wt=1.0,
>
>/
>
>Hold the DNA fixed
>
>500.0
>
>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.
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber



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Received on Mon Jul 01 2013 - 22:30:03 PDT
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