<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">Hi,<DIV><BR class="khtml-block-placeholder"></DIV><DIV>[ stuff deleted ]</DIV><DIV><DIV><BLOCKQUOTE type="cite"><TABLE width="100%"><TBODY><TR><TD width="100%"><FONT size="3"><BR> 2. And this is the region that gives the errors :<BR> <BR> <BR> [ dihedrals ]<BR> ; ai aj ak al fu c0, c1, m, ...<BR> 25 24 26 27 2 0.0 2448.6 0 0.0 2448.6 0 ; imp C12 <BR> C13 C11 O11</FONT></TD></TR></TBODY></TABLE> </BLOCKQUOTE><BR></DIV><DIV>This was covered a couple of days ago - there should only be two parameters in each state for an improper. Daan sent out a mail that PRODRG has been updated, or you can edit your topologies manually. In this case the line above should be:</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>25 24 26 27 2 0.0 2448.6 0.0 2448.6</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>And no, it won't have caused any errors in 3.2.1 unless you were doing free energy runs.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Cheers,</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Erik</DIV><DIV><BR class="khtml-block-placeholder"></DIV><BR><DIV> <SPAN class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><DIV>-----------------------------------------------------------</DIV><DIV>Erik Lindahl <<A href="mailto:lindahl@sbc.su.se">lindahl@sbc.su.se</A>></DIV><DIV>Assistant Professor, Stockholm Bioinformatics Center</DIV><DIV>Stockholm University, SE 106 91 Stockholm</DIV><DIV>Phone: +46 8 5537 8564 Fax: +46 8 5537 8214</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><BR class="khtml-block-placeholder"></DIV><BR class="Apple-interchange-newline"></SPAN> </DIV><BR></DIV></BODY></HTML>