Hello,<br><br>I read through the couple-intramol options (yes and no) good many times but I can not still realize what is the difference and which option I should select. I am having a hydrocarbon system (polyethylene in hexane as solvent). Can anyone help me understand these options please? (in plain english) option yes, says something about FF of large molecules which is my case...but I dont see the statement: nb interactions might lead to kinetically trapped vaccum conformations?!<br>
<br>Also, as with the electrostatics treatment in my hydrocarbon system I am still unsure if I need to include electrostatics potentials. I digged into the literature and found the following articles containing nonpolar polymers where vdw is the only nonbonded term in the FF. <br>
<br><a href="http://pubs.acs.org/doi/abs/10.1021/ma9600419">http://pubs.acs.org/doi/abs/10.1021/ma9600419</a><br><br><a href="http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TXW-40TY56F-16&_user=458507&_coverDate=11%2F30%2F2000&_rdoc=1&_fmt=high&_orig=search&_origin=search&_sort=d&_docanchor=&view=c&_searchStrId=1650178009&_rerunOrigin=google&_acct=C000022002&_version=1&_urlVersion=0&_userid=458507&md5=bf0b74cfc76e0dafbadf06396fb63745&searchtype=a">http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TXW-40TY56F-16&_user=458507&_coverDate=11%2F30%2F2000&_rdoc=1&_fmt=high&_orig=search&_origin=search&_sort=d&_docanchor=&view=c&_searchStrId=1650178009&_rerunOrigin=google&_acct=C000022002&_version=1&_urlVersion=0&_userid=458507&md5=bf0b74cfc76e0dafbadf06396fb63745&searchtype=a</a><br>
<br>Please let me know your comments<br><br>Thanks<br>Moeed<br>