<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>Hello.</div><div><br></div><div>I'm trying to setup QM/MM for Gaussian03. </div><div><br></div><div><a href="http://wwwuser.gwdg.de/~ggroenh/qmmm.html">http://wwwuser.gwdg.de/~ggroenh/qmmm.html</a></div><div><br></div><div>I refer the upper links, but I still can not understand.</div><div><br></div><div>======roadmap.pdf (page 6) ========</div><div><br></div><div>modified subroutines in l701</div><div><br></div><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 16.1px/normal Arial; "><span style="font: 19.9px Times">• </span><span style="font: 19.9px Arial">oneeli </span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 16.1px/normal Arial; "><br></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 16.1px/normal Arial; "><span style="font: 19.9px Arial"></span>added an extra argument to Oneeli() for the forces on the point charges</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 13.9px/normal Courier; color: rgb(45, 44, 246); ">subroutine Oneeli(...,FCh)</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 13.9px/normal Courier; color: rgb(45, 44, 246); "><br></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 16.1px/normal Arial; ">added to the declaration section</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 13.9px/normal Courier; color: rgb(45, 44, 246); ">Real*8 FCh(*)</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 16.1px/normal Arial; "><br></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 16.1px/normal Arial; ">added an extra argument to all PrsmSu() function calls</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 13.9px/normal Courier; color: rgb(45, 44, 246); ">PrsmSu(...,FCh)</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 13.9px/normal Courier; color: rgb(45, 44, 246); "><br></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 13.9px/normal Courier; color: rgb(45, 44, 246); "><span class="Apple-style-span" style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; "><div>======roadmap.pdf (page 6) ========</div><div><br></div><div>gau-fsplit -e d1e l701.F ; works fine</div><div><br></div><div>gau-fsplit -e oneeli l701.F ; no works.</div><div><br></div><div>So, I do job on l701.F and I can't find 'subroutine Oneeli ()' either Prsmsu ()' in l701.F.</div><div><br></div><div><br></div><div><br></div><div>Is there any misunderstand about instruction ?</div><div><br></div><div><br></div><div>regard.</div><div><br></div><div>yoochan.</div><div><br></div><div><br></div></span></div></div></body></html>