<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi <span class="Apple-style-span" style="font-family: Verdana; font-size: 13px; ">Vijaya,</span><div><font class="Apple-style-span" face="Verdana" size="3"><span class="Apple-style-span" style="font-size: 13px;"><br></span></font></div><div><font class="Apple-style-span" face="Verdana" size="3"><span class="Apple-style-span" style="font-size: 13px;">what version of Gromacs is this and how big do the trr files</span></font></div><div><font class="Apple-style-span" face="Verdana" size="3"><span class="Apple-style-span" style="font-size: 13px;">have to be so that the segv shows up?</span></font></div><div><font class="Apple-style-span" face="Verdana" size="3"><span class="Apple-style-span" style="font-size: 13px;"><br></span></font></div><div><font class="Apple-style-span" face="Verdana" size="3"><span class="Apple-style-span" style="font-size: 13px;">Carsten</span></font></div><div><font class="Apple-style-span" face="Verdana" size="3"><span class="Apple-style-span" style="font-size: 13px;"><br></span></font></div><div><font class="Apple-style-span" face="Verdana" size="3"><span class="Apple-style-span" style="font-size: 13px;"><br></span></font></div><div><font class="Apple-style-span" face="Verdana" size="3"><span class="Apple-style-span" style="font-size: 13px;"><br></span></font><div><div>On Apr 22, 2010, at 6:56 PM, vijaya subramanian wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; ">Hi<br>When I run make_edi with a small eigenvec.trr file it works, but gives me a segmentation fault when I input large .trr files generated using g_covar. These large eigenvector<br>files work well with g_anaeig and I have used them to generate projections as well as filtered trajectories.<br>The command line with options for make_edi is given below:<span class="Apple-converted-space"> </span><br><br>make_edi -linfix "4,5,7,8" -outfrq 500 -f eigvec.trr -s fframe.gro -o edsamp.edi -linstep ".0001 .0001 .0001 .0001"<br><br><br>One option would be to read the large eigenvec.trr file and write out only the eigenvectors<br>I need to a new file. Is there some way I can do that? Else, is there some way to modify<br>make_edi so I don't get a segmentation fault.<br><br>Thanks<br>Vijaya<br><br><hr>The New Busy think 9 to 5 is a cute idea. Combine multiple calendars with Hotmail.<span class="Apple-converted-space"> </span><a href="http://www.windowslive.com/campaign/thenewbusy?tile=multicalendar&ocid=PID28326::T:WLMTAGL:ON:WL:en-US:WM_HMP:042010_5" target="_new">Get busy.</a><span class="Apple-converted-space"> </span>--<span class="Apple-converted-space"> </span><br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at<span class="Apple-converted-space"> </span><a href="http://www.gromacs.org/search">http://www.gromacs.org/search</a><span class="Apple-converted-space"> </span>before posting!<br>Please don't post (un)subscribe requests to the list. Use the<span class="Apple-converted-space"> </span><br>www interface or send it to<span class="Apple-converted-space"> </span><a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>Can't post? Read<span class="Apple-converted-space"> </span><a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a></div></span></blockquote></div><br><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><span class="Apple-style-span" style="font-size: medium;"><br></span></div></div></span></span></div></div></body></html>