| 
 | VERSION 3.3.1 | 
g_nmens generates an ensemble around an average structure in a subspace which is defined by a set of normal modes (eigenvectors). The eigenvectors are assumed to be mass-weighted. The position along each eigenvector is randomly taken from a Gaussian distribution with variance kT/eigenvalue.
By default the starting eigenvector is set to 7, since the first six normal modes are the translational and rotational degrees of freedom.
| option | filename | type | description | 
|---|---|---|---|
| -v | eigenvec.trr | Input | Full precision trajectory: trr trj | 
| -e | eigenval.xvg | Input | xvgr/xmgr file | 
| -s | topol.tpr | Input | Structure+mass(db): tpr tpb tpa gro g96 pdb xml | 
| -n | index.ndx | Input, Opt. | Index file | 
| -o | ensemble.xtc | Output | Generic trajectory: xtc trr trj gro g96 pdb | 
| option | type | default | description | 
|---|---|---|---|
| -[no]h | bool | no | Print help info and quit | 
| -nice | int | 19 | Set the nicelevel | 
| -[no]xvgr | bool | yes | Add specific codes (legends etc.) in the output xvg files for the xmgrace program | 
| -temp | real | 300 | Temperature in Kelvin | 
| -seed | int | -1 | Random seed, -1 generates a seed from time and pid | 
| -num | int | 100 | Number of structures to generate | 
| -first | int | 7 | First eigenvector to use (-1 is select) | 
| -last | int | -1 | Last eigenvector to use (-1 is till the last) |