[gmx-users] Re: How to check if one protein broke into fragments during MD?

Justin Lemkul jalemkul at vt.edu
Tue Jun 18 04:10:41 CEST 2013



On 6/17/13 9:59 PM, maggin wrote:
> Hi, Justin
>
> the structure of 19532ps shows as
>
> <http://gromacs.5086.x6.nabble.com/file/n5009235/aa2.png>
>
> the structure of md_0_1 shows as
>
> <http://gromacs.5086.x6.nabble.com/file/n5009235/cc.png>
>
> So, how can I fix the structure of 19532ps like md_0_1 ?

As I said before, please read in the manual about trjconv.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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