[gmx-users] Interaction energy between helices

[Natalia Alveal F.]

Thanks a lot Justin for your time.
Best regards!!


2014-07-10 18:46 GMT-04:00 Justin Lemkul <jalemkul at vt.edu>:

>
>
> On 7/10/14, 3:02 PM, Natalia Alveal F. wrote:
>
>> Dear Justin,
>>
>> i do that you tell me, and when i do mdrun -rerun -deffnm new.tpr, there
>> is
>> a error, because
>>
>> Can not open file:
>> md-energy.xtc
>>
>>
> You need to pass a valid file name to the -rerun flag, i.e. the trajectory
> that already exists for which you wish to recalculate energies.  The
> command above would not have produced that error; please always be sure
> you're providing copied and pasted commands rather than retyping what you
> think you did from memory.
>
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
> ==================================================
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
Natalia Alveal Fuentealba
Ingeniera en Bioinformática
Laboratory of Membranes Proteins Structure and Signalling
Departamento de Fisiología
Pontificia Universidad Católica de Chile
Alameda 340, Santiago, Chile
Fono: 56-2-3542877