[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output?

[Justin Lemkul]

On 10/10/16 2:15 PM, Jones de Andrade wrote:
> Just an addendum:
>
> I used to get *this* kind of output out of g_energy (not "gmx_energy", my
> mistake):
>
> **************
> Select the terms you want from the following list by
> selecting either (part of) the name or the number or a combination.
> End your selection with an empty line or a zero.
> -------------------------------------------------------------------
>   1  LJ-(SR)            2  Coulomb-(SR)  3  Position-Rest.   4 Potential
>   5  Kinetic-En.       6  Total-Energy    7  Conserved-En.   8 Temperature
>   9  Pressure        10  Constr.-rmsd  11  Vir-XX              12 Vir-XY
>  13  Vir-XZ            14  Vir-YX           15  Vir-YY             16 Vir-YZ
>  17  Vir-ZX            18  Vir-ZY           19  Vir-ZZ              20
> Pres-XX
>  21  Pres-XY         22  Pres-XZ         23  Pres-YX          24 Pres-YY
>  25  Pres-YZ         26  Pres-ZX         27  Pres-ZY          28 Pres-ZZ
>  29  #Surf*SurfTen 30  Mu-X             31  Mu-Y              32 Mu-Z
>  33  T-System
> ***********
>
> This was what gave me a way to select properties to be calculated. It *does
> not* appears in gmx_energy. How can I select properties now? What am I
> doing wrong?
>

Absent your exact command and full screen output, there's nothing to go on.  I 
get the expected list in 5.1.  Nothing should have changed with respect to 
energy output selections in any recent version.

-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

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