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<blockquote type=cite class=cite cite><blockquote type=cite class=cite cite>yes,
i added that condition in .mdp file. but am not able to keep the water
box intact.</blockquote></blockquote><br>
What if you use trjconv -pbc whole?<br><br>
May be they are still "within" the box?<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy, Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9083<br>
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