<html><head></head><body bgcolor="#FFFFFF"><div><br></div><div>Did you define the mapping in the atomistic topology? <br><br><br></div><div><br>On Mar 6, 2012, at 10:57, dina dusti <<a href="mailto:dinadusti@yahoo.com">dinadusti@yahoo.com</a>> wrote:<br><br></div><div></div><blockquote type="cite"><div><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear Gromacs Specialists,</div><div><br></div><div>I have one problem about g_fg2cg. I want convert structure of butanole in fg to cg by g_fg2cg, but I take this error:</div><div><br></div><div>"Program g_fg2cg, VERSION 3.3.1<br>Source code file: gmxfio.c, line: 735<br><br>Range checking error:<br>Variable fio has value -1. It should have been within [ 0 .. 1 ]<br>Please report this to the mailing list (<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>)"</div><div><br></div><div>May I ask you to help me, Please?</div><div>Thank you very much in advance</div><div><br></div><div>Best Regards</div><div>Dina<br></div></div></div></blockquote><blockquote type="cite"><div><span>-- </span><br><span>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a></span><br><span><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a></span><br><span>Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/Search">http://www.gromacs.org/Support/Mailing_Lists/Search</a> before posting!</span><br><span>Please don't post (un)subscribe requests to the list. Use the </span><br><span>www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.</span><br><span>Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists">http://www.gromacs.org/Support/Mailing_Lists</a></span></div></blockquote></body></html>