On Nov 6, 2008, at 14:48 , Berk Hess wrote:
Hi,
I fixed the virtual site charge group issue in mdrun for 4.0.1.
Now vsite aromatics will run fine.
But there is still an issue in pdb2gmx for some proteins
when selecting the OPLS force field.
I hope we can fix this for 4.0.1.
Is it something serious? When does it occur?
Berk
> Date: Tue, 4 Nov 2008 11:32:46 -0500
> From: [EMAIL PROTECTED]
> To: gmx-users@gromacs.org
> Subject: [gmx-users] RE: vsite problem in gromacs 4.0
>
> Hi Berk,
>
> I have taken the information from these posts and created a wiki
page
> on the topic:
> http://wiki.gromacs.org/index.php/
Removing_fastest_degrees_of_freedom
>
> However, I was unable to add a link to
> http://wiki.gromacs.org/index.php/Category:Beginners as the edit tab
> only allowed me to edit the top content of that page, and not the
> subcategories.
>
> If you have time to edit this new page then that would be great.
Also,
> if anybody knows how to link it then that would also be great.
>
> Thanks,
> Chris.
>
>
> _______________________________________________
> gmx-users mailing list gmx-users@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 [EMAIL PROTECTED]
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Express yourself instantly with MSN Messenger! MSN Messenger
_______________________________________________
gmx-users mailing list gmx-users@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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________
gmx-users mailing list gmx-users@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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
