Re: [AMBER] RMSD for the backbone atoms of residues

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 9 Jun 2016 13:33:14 -0600

Strange. How are you executing cpptraj (exact command on the command line)?

Also, I recommend updating to AmberTools 16 if possible.

-Dan

On Thu, Jun 9, 2016 at 1:31 PM, Aishani Prem <aishaniprem.gmail.com> wrote:
> It wont throw me an output file or an error, and the version I am using is
> V15.00
>
> On Thu, Jun 9, 2016 at 12:17 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
>> Can you please post your entire cpptraj output? Also, what version of
>> cpptraj are you using?
>>
>> -Dan
>>
>> On Thu, Jun 9, 2016 at 1:14 PM, Aishani Prem <aishaniprem.gmail.com>
>> wrote:
>> > Hi,
>> > I am trying to get the RMSD of the backbone atoms for a specific
>> set
>> > of residues in my simulations. My input file looks like:
>> > trajin pdb_nocut.mdcrd
>> > reference pdb_nocut.rst
>> > autoimage
>> > rms reference mass out pdb_backbone_nocut_cpptraj.rms .N,CA,C,O :76-112
>> > time 0.1
>> >
>> > When I run this , I dont get any error but my output file is not
>> generated
>> > either. Am I doing anything wrong?
>> > --
>> > Thank You and Regards,
>> > Aishani Chittoor Prem
>> > _______________________________________________
>> > AMBER mailing list
>> > AMBER.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>>
>> --
>> -------------------------
>> Daniel R. Roe, PhD
>> Department of Medicinal Chemistry
>> University of Utah
>> 30 South 2000 East, Room 307
>> Salt Lake City, UT 84112-5820
>> http://home.chpc.utah.edu/~cheatham/
>> (801) 587-9652
>> (801) 585-6208 (Fax)
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Thank You and Regards,
> Aishani Chittoor Prem
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Jun 09 2016 - 13:00:03 PDT
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