[gmx-users] Automated RMSD Calculations

[Nancy]

Thanks alot for the info.
Nancy


On Fri, Mar 25, 2011 at 6:22 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Nancy wrote:
>
>> Hi All,
>>
>> I would like to calculate RMSDs of a large number of small molecule
>> conformations against a reference conformation, is there a simple software
>> program or method that can be used to perform such calculations?
>>
>
> This can easily be scripted:
>
>
> http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive
>
> -Justin
>
>
>> Thanks in advance,
>> Nancy
>>
>>
>>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110325/0887f5f2/attachment.html>