[gmx-users] charges in .gro

Rama Gullapalli quantrum75 at yahoo.com
Thu Dec 8 16:22:55 CET 2005

I guess it depends  on what kind of molecule you are talking about. If it is de novo, you can try PRODRG (Not reliable) or Ab initio methods.

Anthony Cruz <acb15885 at uprm.edu> wrote: Hi:
I want to know if is possible to create a .gro file that contains the atom 

Best Regards,
gmx-users mailing list
gmx-users at gromacs.org
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.

Yahoo! Shopping
 Find Great Deals on Holiday Gifts at Yahoo! Shopping 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051208/ddd052a2/attachment.html>

More information about the gromacs.org_gmx-users mailing list