<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Dear Justin</DIV>
<DIV>I hope all is well with you. I have faced a problem. I connect to imperial college london from my conunty to do the simulations. Today I faced an strange problem.</DIV>
<DIV>every command wich I want to use for ex: g_msd_mpi or make_ndx_mpi</DIV>
<DIV> I get this fatal error:</DIV>
<DIV><STRONG>Fatal error:<BR>Library file aminoacids.dat not found in current dir nor in default directories.<BR>(You can set the directories to search with the GMXLIB path variable)</STRONG></DIV>
<DIV> </DIV>
<DIV>It is strange because my system is DPPC monolayer and does not have nothing to do with proteins !!!</DIV>
<DIV> </DIV>
<DIV>your help would be greatly appreciated/</DIV>
<DIV><STRONG>Best regards</STRONG></DIV>
<DIV><STRONG>Delara</DIV>
<DIV><BR></STRONG><BR><BR>--- On <B>Wed, 12/22/10, Justin A. Lemkul <I><jalemkul@vt.edu></I></B> wrote:<BR></DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(16,16,255) 2px solid"><BR>From: Justin A. Lemkul <jalemkul@vt.edu><BR>Subject: Re: [gmx-users] buckingham potentials<BR>To: "Gromacs Users' List" <gmx-users@gromacs.org><BR>Date: Wednesday, December 22, 2010, 8:04 AM<BR><BR>
<DIV class=plainMail><BR><BR>sreelakshmi ramesh wrote:<BR>> Dear justin,<BR>> I have no clues about rewriting a force field so i think i can t proceed with this anymore.<BR>> <BR>> thanks a lot for your patient reply.<BR><BR>For the future, you will waste a lot less time (your own, and that of those who are trying to help you) if you provide a clear, concise statement of what you hope to accomplish in your very first post. You began this adventure seeking help on how to (generically) use Buckingham potentials. What you should have asked was how to use Buckingham potentials within the Gromos force field. Then, instead of swapping ten emails, you would have received your answer in one.<BR><BR>-Justin<BR><BR>-- ========================================<BR><BR>Justin A. Lemkul<BR>Ph.D. Candidate<BR>ICTAS Doctoral Scholar<BR>MILES-IGERT
Trainee<BR>Department of Biochemistry<BR>Virginia Tech<BR>Blacksburg, VA<BR>jalemkul[at]vt.edu | (540) 231-9080<BR><A href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target=_blank>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</A><BR><BR>========================================<BR>-- gmx-users mailing list <A href="http://us.mc1301.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org" ymailto="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A><BR><A href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target=_blank>http://lists.gromacs.org/mailman/listinfo/gmx-users</A><BR>Please search the archive at <A href="http://www.gromacs.org/Support/Mailing_Lists/Search" target=_blank>http://www.gromacs.org/Support/Mailing_Lists/Search</A> before posting!<BR>Please don't post (un)subscribe requests to the list. Use the www interface or send it to <A
href="http://us.mc1301.mail.yahoo.com/mc/compose?to=gmx-users-request@gromacs.org" ymailto="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A>.<BR>Can't post? Read <A href="http://www.gromacs.org/Support/Mailing_Lists" target=_blank>http://www.gromacs.org/Support/Mailing_Lists</A><BR></DIV></BLOCKQUOTE></td></tr></table><br>