[gmx-users] Help_Warning1

Justin Lemkul jalemkul at vt.edu
Tue May 5 20:04:49 CEST 2015



On 5/5/15 12:45 PM, Tammy wrote:
> Dear All,
>
>
>
> I am new user of Gromacs and I am facing with a problem  during a Tutorial
> that until now It was not solved.
>
>
>
> The following message appear: "The switching range for PME-Switch should be
> 5% or less, energy conservation will be good anyhow, since ewald_rtol =
> 1e-05".
>
>
>
> I would like to know if someone could help me with some tips about what I
> need to do.
>
> The .mdp file is attached.
>

The list does not accept attachments.  Either copy and paste the text into your 
email or upload the file somewhere and provide a URL.  The message you're 
getting is an FYI; it doesn't necessarily mean anything is wrong (that would be 
an error rather than a note).

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================


More information about the gromacs.org_gmx-users mailing list