[gmx-users] Isovaline vs Valine

[Alex Simperler]

Ahhh, thanks.
  I was one of the sort "It's in front of your nose, dear!!"""
  Alex

David van der Spoel <spoel at xray.bmc.uu.se> 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 gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> 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
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_______________________________________________
gmx-users mailing list gmx-users at gromacs.org
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 gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php


 Send instant messages to your online friends http://uk.messenger.yahoo.com 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20061119/35be6800/attachment.html>