<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>1. Download the source tarball of Gromacs, and compile it according to instructions.</DIV><DIV>2. Go to gromacs-3.3/src/contrib</DIV><DIV>3. Type "make mkice"</DIV><DIV>4. Done!</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Cheers,</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Erik</DIV><DIV><BR><DIV><DIV>On Oct 24, 2005, at 10:14 AM, Fernando Mattio wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"> Hi Erick,<BR> I searched in my src directory on my computer and there is no mkice file, I also searched it in contributions folders but I couldn´t find... So is there any other way to download this make mkice file? Is it avaiable somewhere?<BR> <BR> Thank you very much in advance.<BR> Fernando Mattio <BR> <BR><DIV><SPAN class="gmail_quote">2005/10/11, Erik Lindahl <<A href="mailto:lindahl@sbc.su.se">lindahl@sbc.su.se</A>>:</SPAN><BLOCKQUOTE class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> Hi,<BR><BR>I fixed the mkice program so it compiles, just before releasing<BR>version 3.3.<BR><BR>Go to src/contrib, and issue "make mkice". Then run "mkice -h" to get<BR>help on creating ice crystals. <BR><BR>Cheers,<BR><BR>Erik<BR><BR>On Oct 10, 2005, at 3:59 PM, Fernando Mattio wrote:<BR><BR>> Dear gromacs users,<BR>> I would like to know if it is possible with gromacs to create a box<BR>> not with water and protein, but only with ice. I couldn´t generate <BR>> a topology of the ice in the prodrg sever, and the command pdb2gmx<BR>> didn´t work... So I am wondering if it is possible...<BR>> Many thanks in advance,<BR>> Fernando Mattio<BR>> _______________________________________________ <BR>> gmx-users mailing list<BR>> <A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A><BR>> <A href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users </A><BR>> Please don't post (un)subscribe requests to the list. Use the<BR>> www interface or send it to <A href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A>.<BR><BR>----------------------------------------------------------- <BR>Erik Lindahl <<A href="mailto:lindahl@sbc.su.se">lindahl@sbc.su.se</A>><BR>Assistant Professor, Stockholm Bioinformatics Center<BR>Stockholm University, SE 106 91 Stockholm<BR>Phone: +46 8 5537 8564 Fax: +46 8 5537 8214 <BR><BR><BR><BR><BR>_______________________________________________<BR>gmx-users mailing list<BR><A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A><BR><A href="http://www.gromacs.org/mailman/listinfo/gmx-users"> http://www.gromacs.org/mailman/listinfo/gmx-users</A><BR>Please don't post (un)subscribe requests to the list. Use the<BR>www interface or send it to <A href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org </A>.<BR></BLOCKQUOTE></DIV><BR><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; ">gmx-users mailing list</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Please don't post (un)subscribe requests to the list. Use the<SPAN class="Apple-converted-space"> </SPAN></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">www interface or send it to <A href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A>.</DIV> </BLOCKQUOTE></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>