<div>Ahhh, thanks.</div> <div>I was one of the sort "It's in front of your nose, dear!!"""</div> <div>Alex<BR><BR><B><I>David van der Spoel <spoel@xray.bmc.uu.se></I></B> wrote:</div> <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Alex Simperler wrote:<BR>> Dear Gromacs Users!<BR>> I have Isovaline in my Protein. It is not supported in the <BR>> aminoacids.dat file. Can I simply call it VAL for the calculations or <BR>> do I need to insert the data by hand. Is there any routine described <BR>> online that tells me what I have to change?<BR><BR>make a new residue defintion. chapter 5 of the manual.<BR><BR>> Regards<BR>> Alex <BR>> <BR>> ------------------------------------------------------------------------<BR>> Now you can scan emails quickly with a reading pane <BR>> <HTTP: mail evt="40565/*http://uk.docs.yahoo.com/nowyoucan.html" us.rd.yahoo.com *http: reading_pane nowyoucan
default taglines uk>. <BR>> Get the new Yahoo! Mail <BR>> <HTTP: mail evt="40565/*http://uk.docs.yahoo.com/nowyoucan.html" us.rd.yahoo.com *http: reading_pane nowyoucan default taglines uk>. <BR>> <BR>> <BR>> <BR>> ------------------------------------------------------------------------<BR>> <BR>> _______________________________________________<BR>> gmx-users mailing list gmx-users@gromacs.org<BR>> http://www.gromacs.org/mailman/listinfo/gmx-users<BR>> Please don't post (un)subscribe requests to the list. Use the <BR>> www interface or send it to gmx-users-request@gromacs.org.<BR>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<BR><BR><BR>-- <BR>David.<BR>________________________________________________________________________<BR>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<BR>Dept. of Cell and Molecular Biology, Uppsala University.<BR>Husargatan 3, Box 596, 75124 Uppsala, Sweden<BR>phone: 46 18
471 4205 fax: 46 18 511 755<BR>spoel@xray.bmc.uu.se spoel@gromacs.org http://folding.bmc.uu.se<BR>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<BR>_______________________________________________<BR>gmx-users mailing list gmx-users@gromacs.org<BR>http://www.gromacs.org/mailman/listinfo/gmx-users<BR>Please don't post (un)subscribe requests to the list. Use the <BR>www interface or send it to gmx-users-request@gromacs.org.<BR>Can't post? Read http://www.gromacs.org/mailing_lists/users.php<BR></BLOCKQUOTE><BR><p> Send instant messages to your online friends http://uk.messenger.yahoo.com