<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi JD,<div><span class="Apple-tab-span" style="white-space:pre"> </span>I tested solvating 1gcn with the Windows daily build and it worked fine. You shouldn't need to install all those things you tried. You have to realize that when Chimera runs sleap that various environment variables are set that will cause sleap to find files that it won't find it you run it standalone without those environment variables set.</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>Can you try installing a "clean" version of the daily build and see if you can solvate 1gcn (4 angstrom box) without error? If you get an error, save the contents of the reply log and mail it to me. If you don't get an error then try your structure. If that fails, you will have to send it to me if I'm going to have a chance to debug the problem...</div><div><br></div><div>--Eric</div><div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 16px; 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="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; "><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> <span class="Apple-converted-space"> </span></span>Eric Pettersen</font></p><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> <span class="Apple-converted-space"> </span></span>UCSF Computer Graphics Lab</font></p><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> </span><a href="http://www.cgl.ucsf.edu">http://www.cgl.ucsf.edu</a></font></p><br class="Apple-interchange-newline"></div></span> </div><br><div><div>On Oct 8, 2008, at 7:12 AM, Dr. Jean-Didier Maréchal wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div><br>Dear all,<br><br>I tried yesterday's build on windows and tested the solvation plugin. <br>I had a first crash that reply log message I give here:<br><br><span class="Apple-tab-span" style="white-space:pre"> </span>command: ['C:\\Archivos de<br>programa\\Chimera\\bin\\amber10\\exe\\sleap', '-f',<br>'d:\\docume~1\\jean\\config~1\\temp\\tmp7wpvvm\\solvate.cmd']<br><span class="Apple-tab-span" style="white-space:pre"> </span>Running sleap command: C:\Archivos de<br>programa\Chimera\bin\amber10\exe\sleap -f<br>d:\docume~1\jean\config~1\temp\tmp7wpvvm\solvate.cmd<br><span class="Apple-tab-span" style="white-space:pre"> </span>Failure running sleap <br><span class="Apple-tab-span" style="white-space:pre"> </span>Check reply log for details<br><br>Running C:\Archivos de programa\Chimera\bin\amber10\exe\sleap alone, I saw<br>that cygwin1.dll was missing. So I installed it in the same directory. <br><br>Then came a second crash:<br><br><span class="Apple-tab-span" style="white-space:pre"> </span>tempDir: d:\docume~1\jean\config~1\temp\tmp6m0sm0<br><span class="Apple-tab-span" style="white-space:pre"> </span>command: ['C:\\Archivos de<br>programa\\Chimera\\bin\\amber10\\exe\\sleap', '-f',<br>'d:\\docume~1\\jean\\config~1\\temp\\tmp6m0sm0\\solvate.cmd']<br><span class="Apple-tab-span" style="white-space:pre"> </span>Running sleap command: C:\Archivos de<br>programa\Chimera\bin\amber10\exe\sleap -f<br>d:\docume~1\jean\config~1\temp\tmp6m0sm0\solvate.cmd<br><span class="Apple-tab-span" style="white-space:pre"> </span>(solvate) [gtkleap]$ source leaprc.ff03<br><span class="Apple-tab-span" style="white-space:pre"> </span>(solvate) Error: can not find file leaprc.ff03 in all the search<br>path.<br><span class="Apple-tab-span" style="white-space:pre"> </span>Failure running sleap <br><span class="Apple-tab-span" style="white-space:pre"> </span>Check reply log for details<br><br>Though I located the leaprc.ff03 file in another directory and copied it in<br>the running one, I can not pass over this problem.<br><br>All the best! <br><br>JD<br><br><br>***************************************************<br>Dr. Jean-Didier Maréchal<br>Lecturer<br>Computational Bioorganic and Bioionorganic Chemistry @ Transmet<br>Unitat de Química Física<br>Departament de Química<br>Universitat Autònoma de Barcelona<br>Edifici C.n.<br>08193 Cerdanyola (Barcelona)<br>Tel: +34.935814936<br>e-mail: <a href="mailto:JeanDidier.Marechal@uab.es">JeanDidier.Marechal@uab.es</a><br><br><br><br><br>_______________________________________________<br>Chimera-users mailing list<br><a href="mailto:Chimera-users@cgl.ucsf.edu">Chimera-users@cgl.ucsf.edu</a><br>http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users<br></div></blockquote></div><br></div></body></html>