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On 13/11/2010 9:12 PM, atila petrosian wrote:
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cite="mid:AANLkTi=Y284GtGUM+dec19e8e1si+_Sn1faBXu51L=0G@mail.gmail.com"
type="cite">
<div>Dear all</div>
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<div>my system includes protein, ligand and water. </div>
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<p class="MsoNormal" style="margin: 0in 0in 0pt; text-align:
justify;"><font size="3"><span style="font-family: 'Times New
Roman','serif';">I want to obtain number of water
molecules (interfacial) to be within 2.4 A distance from
both the protein and the ligand during simulation. also,
exact numeration of each water being in interface between
protein and ligand.</span></font></p>
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<br>
Look at the new g_select in GROMACS 4.5.x<br>
<br>
Mark<br>
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