Ahhh, thanks. I was one of the sort "It's in front of your nose, dear!!""" Alex
David van der Spoel <[EMAIL PROTECTED]> wrote: Alex Simperler wrote: > Dear Gromacs Users! > I have Isovaline in my Protein. It is not supported in the > aminoacids.dat file. Can I simply call it VAL for the calculations or > do I need to insert the data by hand. Is there any routine described > online that tells me what I have to change? make a new residue defintion. chapter 5 of the manual. > Regards > Alex > > ------------------------------------------------------------------------ > Now you can scan emails quickly with a reading pane > . > Get the new Yahoo! Mail > . > > > > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- David. ________________________________________________________________________ David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: 46 18 471 4205 fax: 46 18 511 755 [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php Send instant messages to your online friends http://uk.messenger.yahoo.com
_______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
