<span class="Apple-style-span" style="font-family: AppleMyungjo; font-size: 16px; "><div style="margin-top: 8px; margin-right: 8px; margin-bottom: 8px; margin-left: 8px; font: normal normal normal small/normal arial; ">Dear Dr. Benkova and others:<div>
<br></div><div><br></div><div>I am C. Kim and trying to simulation polymer system.</div><div><br></div><div>Since I guessed that polyethylene (PE) is a simple system, it could be not that hard to simulate it in Gromacs.</div>
<div>Trying to do, I have read Dr. Benkova's articles in gmx-users mailing list to tackle my problems.</div><div>Sorry to say, I could not solve problems, so I am asking your help!</div><div><br></div><div>Actually I have used your files written in followings,</div>
<div><br></div><div><a href="http://www.mail-archive.com/gmx-users@gromacs.org/msg12204.html">http://www.mail-archive.com/gmx-users@gromacs.org/msg12204.html</a><br></div><div><br></div><div>[Q1]</div><div>After getting the result from the pdb2gmx, I could not see any H-atoms in my system.</div>
<div>All the H-atoms have 0, 0, 0 positions!</div><div>Therefore, my question is</div><div> how I should define hdb?</div><div><br></div><div>[Q2]</div><div>When I use -C2, and +C1 in hdb file, I always meet error.</div>
<div>Is there any other things to add to the ffopls*.* files...?</div><div><br></div><div>Thank you for your care!</div><div><br></div><div><br></div><div>Sincerely </div><div><br></div><div>C. Kim</div></div></span>