| 14 |
|
option "zconstraint" z "replace the atom types of zconstraint molecules" flag off |
| 15 |
|
option "rigidbody" r "add a pseudo COM atom to rigidbody" flag off |
| 16 |
|
option "watertype" t "replace the atom type of water model" flag on |
| 17 |
< |
option "selection" s "general selection syntax(now only support select atoms within a specified range)" string typestr="selection script" no |
| 17 |
> |
option "selection" s "general selection syntax" string typestr="selection script" no |
| 18 |
|
option "originsele" - "select origin" string typestr="selection script" no |
| 19 |
|
option "refsele" - "select reference" string typestr="selection script" no |
| 20 |
|
option "repeatX" - "The number of images to repeat in the x direction" int default="0" no |
| 21 |
|
option "repeatY" - "The number of images to repeat in the y direction" int default="0" no |
| 22 |
|
option "repeatZ" - "The number of images to repeat in the z direction" int default="0" no |
| 23 |
+ |
option "gb" - "Replace the Gay-Berne atom with four linear atoms" string typestr="atomtype" no |
| 24 |
+ |
option "basetype" b "Convert to base atom type" flag off |
| 25 |
+ |
option "printPosOnly" - "Print only positions in xyz file" flag off |
