hello all... when ever i run simulation i'm getting this kind of out put saying there is one warning as shown below
Walking down the molecule graph to make shake-blocks initialising group options... processing index file... Analysing residue names: Opening library file /usr/local/gromacs/share/gromacs/top/aminoacids.dat There are: 4401 OTHER residues There are: 46 PROTEIN residues There are: 0 DNA residues Analysing Protein... Analysing Other... WARNING 1 [file aminoacids.dat, line 1]: T-Coupling group protein has fewer than 10% of the atoms (460 out of 13663) Maybe you want to try Protein and Non-Protein instead? Making dummy/rest group for Acceleration containing 13663 elements Making dummy/rest group for Freeze containing 13663 elements Making dummy/rest group for Energy Mon. containing 13663 elements Making dummy/rest group for VCM containing 13663 elements Number of degrees of freedom in T-Coupling group Protein is 912.90 Number of degrees of freedom in T-Coupling group Other is 26403.10 Making dummy/rest group for User1 containing 13663 elements Making dummy/rest group for User2 containing 13663 elements Making dummy/rest group for XTC containing 13663 elements Making dummy/rest group for Or. Res. Fit containing 13663 elements Making dummy/rest group for QMMM containing 13663 elements T-Coupling has 2 element(s): Protein Other Energy Mon. has 1 element(s): rest Acceleration has 1 element(s): rest Freeze has 1 element(s): rest User1 has 1 element(s): rest User2 has 1 element(s): rest VCM has 1 element(s): rest XTC has 1 element(s): rest Or. Res. Fit has 1 element(s): rest QMMM has 1 element(s): rest Checking consistency between energy and charge groups... Calculating fourier grid dimensions for X Y Z Using a fourier grid of 44x44x44, spacing 0.118 0.118 0.118 writing run input file... There was 1 warning gcq#100: "Proceed, With Fingers Crossed" (TeX) -- Bharath.K.Chakravarthi Ph:9535629260
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