[gmx-users] error gcq#360

[Justin Lemkul]

On 6/26/15 9:15 AM, Urszula Uciechowska wrote:
> Dear gmx users,
>
> after running grompp -f em.mdp -c COM_ions.gro -p COM.top -o em.tpr
>
> I obtained:
>
> GROMACS:      gmx grompp, VERSION 5.0
> Executable:
> /software/local/el6/INTEL/gromacs/5.0.0/intel-ompi-fftw-blas-lapack/bin/gmx
> Library dir:
> /software/local/el6/INTEL/gromacs/5.0.0/intel-ompi-fftw-blas-lapack/share/gromacs/top
> Command line:
>    grompp -f em.mdp -c COM_ions.gro -p COM.top -o em.tpr
>
>
> Back Off! I just backed up mdout.mdp to ./#mdout.mdp.3#
> Setting the LD random seed to 2993272762
> Generated 2211 of the 2211 non-bonded parameter combinations
> Generating 1-4 interactions: fudge = 0.5
> Generated 2211 of the 2211 1-4 parameter combinations
> Excluding 3 bonded neighbours molecule type 'DNA'
> Excluding 3 bonded neighbours molecule type 'DNA2'
> Excluding 3 bonded neighbours molecule type 'Protein3'
> Excluding 3 bonded neighbours molecule type 'Protein4'
> Excluding 3 bonded neighbours molecule type 'Protein5'
> Excluding 3 bonded neighbours molecule type 'Protein6'
> Excluding 2 bonded neighbours molecule type 'SOL'
> Excluding 1 bonded neighbours molecule type 'NA'
> Excluding 1 bonded neighbours molecule type 'CL'
> Removing all charge groups because cutoff-scheme=Verlet
> Analysing residue names:
> There are:   136        DNA residues
> There are:  1140    Protein residues
> There are: 557197      Water residues
> There are:  2152        Ion residues
> Analysing residues not classified as Protein/DNA/RNA/Water and splitting
> into groups...
> Analysing Protein...
> Analysing residues not classified as Protein/DNA/RNA/Water and splitting
> into groups...
> Number of degrees of freedom in T-Coupling group rest is 5090256.00
> Calculating fourier grid dimensions for X Y Z
> Using a fourier grid of 216x216x216, spacing 0.119 0.119 0.119
> Estimate for the relative computational load of the PME mesh part: 0.27
>
> NOTE 1 [file em.mdp]:
>    This run will generate roughly 586540 Mb of data
>
>
> There was 1 note
>
> gcq#360: "error: too many template-parameter-lists" (g++)
>
>
> At the end I have em.tpr file but I am not sure if everything is ok.
>
> Any suggestions.
>

"gcq" are "GROMACS cool quotes" and serve no functional purpose except the 
amusement of the user.  There is no error here.

-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

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