[gmx-users] specbond # bonds

Justin A. Lemkul jalemkul at vt.edu
Sun Jun 29 16:50:57 CEST 2008


I suggest consulting the wiki:

http://wiki.gromacs.org/index.php/specbond.dat

-Justin

Grange Hermitage wrote:
> Hi,
>  
> does the following specbond.dat line build a double bond between the 
> two atoms? 
> CHU    C3      2      CHV    C4      2      0.2    CHU    CHV
>  
> What would happen if the first number was 2 but the second number was 1 ?
> Would two C4s need to be at the right distance away from the one C3?
>  
> Thanks,
>    Grange.
>   
>
> ------------------------------------------------------------------------
> Get the name you always wanted with the new y7mail email address 
> <http://au.rd..yahoo.com/mail/taglines/au/y7mail/default/*http://au.mail.yahoo.com/?p1=ni&p2=general&p3=tagline&p4=other>. 
>
> ------------------------------------------------------------------------
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> 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

-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================




More information about the gromacs.org_gmx-users mailing list