<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; "><DIV>Hello gmx-ers</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>I am a little confused about the units for the normal mode eigenfrequencies output by g_nmeig. </DIV><DIV>In a previous post, Berk wrote: "The unit is ps^-2 for mass-weighted, amu ps^-2 for non mass weighted. In the CVS code it is cm^-1, which is written in the xvg file"</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>I have tried both versions 3.3 and 3.3.1, and the units I get for the mass-weighted NMA eigenfrequencies is [cm/s-1/N]. I do not understand if this is a time-frequency or a mass-weighted cm^-1 unit. </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>If the frequencies are in ps-2, how to convert it to the wavenumber cm-1?</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Any help would be appreciated.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Cheers</DIV><DIV>Jon Ellis</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 style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">----------------------------------------</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Jon Ellis </DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">PhD Candidate, Thompson Group</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Institute of Biomaterials and Biomedical Engineering/Dept of Chemistry</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">University of Toronto</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Lash Miller 147</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">(416) 978-6568</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A href="mailto:jon.ellis@utoronto.ca">jon.ellis@utoronto.ca</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">----------------------------------------</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 12px/normal Helvetica; min-height: 14px; "><BR></DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><BR class="khtml-block-placeholder"></DIV><BR class="Apple-interchange-newline"></SPAN> </DIV><BR></BODY></HTML>