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Solvator(1) Manual Page


Solvator - Creates a box of solvent around a solute.


Solvator [-hrV] [--abc=a,b,c] [-b=2.5] [--iFi=ions] [-p=9.0] [-s=auto] [--sFi=water] file


Creates a box of solvent around a solute.


--abc, --boxLengths=a,b,c

Specify a comma-separated set of unit cell box lengths, instead of calculating them (a,b,c)

-b, --boundary=2.5

Delete solvent molecules that infringe closer than this to the solute.

-h, --help

Print command help and exit.

--iFi, --ionFile=ions

Name of the file containing ions. Must also have a .ions file (e.g. nacl.pdb must also have nacl.ions). Default: no ions.

-p, --padding=9.0

Sets the minimum amount of solvent padding around the solute.

-r, --rectangular

Use a rectangular prism rather than a cube for solvation.

-s, --randomSeed=auto

Specify a random seed for ion placement.

--sFi, --solventFile=water

A file containing the solvent box to be used. There is currently no default.

-V, --version

Print the Force Field X version and exit.



The atomic coordinate file in PDB or XYZ format.