<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt"><span lang="EN-US"><font face="Times New Roman">Dear gmx user</font></span></p>
<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt"><span lang="EN-US"><font face="Times New Roman">Could you help me to give some hints about the following ?</font></span></p>
<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt"><span lang="EN-US"><font face="Times New Roman">First , i want to make a mixture of water and DMSO, so i put 512 DMSO moleculers and 14000 water moleculers in a box using genbox command . I expect water moleculers disperse uniformly in box from beginning , but water always stay one side of box. . Is there good way to make water stay uniformly in box? </font></span></p>
<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt"><span lang="EN-US"><font face="Times New Roman">Second , to achieve this goal , i do position_restrained mdrun for DMSO several times ,and let water moleculers move to spce beween DMSO moleculers . Each time , DMSO moleculers cannot be position restrained , and run freely in box . So i add force constant in porse.itp file to great extent . however , DMSO moleculers move from one position to another as usual. I am sure i has define "-DPOSRES" in pr.mdp . So my second question is why DMSO moleculers move freely even under great force constant defined in porse.itp file? </font></span></p>
<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt"><span lang="EN-US"><font face="Times New Roman">I will be very thankful to your any hints?</font></span></p>