<P>
The post 2ns run had crashed.<BR>
<BR>
The commands were <BR>
tpbconv -f 2ns.trr -e 2ns.edr -s 2ns.tpr -extend 10000<BR>
<BR>
When it crashed ,the command given was<BR>
tpbconv -f ext10ns.trr -s ext10ns.tpr -e ext10ns.edr -o leftrun.tpr<BR>
<BR>
<BR>
On Wed, 10 Sep 2008 Justin A.Lemkul wrote :<BR>
><BR>
><BR>
>sarbani chattopadhyay wrote:<BR>
>> Hi all,<BR>
>> I had used the "tpbconv" command to give continuation run on a 2ns simulation. I <BR>
had<BR>
>>provided the previois trajectory file, energy file for this. However the continuation run <BR>
had<BR>
>>crashed due to power failure and I again had to give a rerun on it.<BR>
>><BR>
><BR>
>I'm confused. Which part crashed? Start --> 2 ns, or the post-2ns time frame?<BR>
><BR>
>Please provide the exact commands you gave to tpbconv.<BR>
><BR>
>>Everything seems to be working well but surprisingly I find that the coordinates of the <BR>
atoms<BR>
>>at 2ns , as found at the end of the 2ns simulation and the coordinates of the atoms at <BR>
2ns at<BR>
>>the start of the continuation run are different. This means that the run didn't start from <BR>
the<BR>
>>point at which ended.<BR>
><BR>
>How did you make this determination?<BR>
><BR>
>-Justin<BR>
><BR>
>><BR>
>>Can anyone suggest any reason for this?<BR>
>>Thanks in advance<BR>
>>Sarbani<BR>
>> <BR>
>><BR>
>><BR>
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>><BR>
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>-- ========================================<BR>
><BR>
>Justin A. Lemkul<BR>
>Graduate Research Assistant<BR>
>Department of Biochemistry<BR>
>Virginia Tech<BR>
>Blacksburg, VA<BR>
>jalemkul[at]vt.edu | (540) 231-9080<BR>
>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<BR>
><BR>
>========================================<BR>
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