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<p>Respected Sir,</p>
<p> I am new to gromacs. Am using GROMACS 4.5.5 version. I have two questions..</p>
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<p>1. I want to know about plotting the co-ordination number (CN) of the water molecules around one of my substrate say a KCl molecule for example. What should i do to get the CN number.</p>
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<p>2. I have three different substrates. I want to create a same box size irrespective of the size of my molecule and generate same number of water molecules around them. What should I do?</p>
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<p>Thanking in advance.</p>
<p>Anik</p>
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<div style="font-size:9pt; font-family:'Calibri',sans-serif">========================================================<br>
Anik Sen<br>
Student<br>
CSIR-Central Salt & Marine Chemicals Research Institute,<br>
Gijubhai Badheka Marg.<br>
Bhavnagar, Gujarat 364002<br>
<div><img alt="www.csmcri.org" src="http://www.csmcri.org/images/logo.png"></div>
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