| Specifies the filename that contains the molecular connectivity.
|
| This required keyword expects a string |
| variants: CONN_FILE |
| CONN_FILE_FORMAT |
|
| CONN_FILE_FORMAT (PSF|UPSF|MOL_SET|GENERATE|OFF|G87|G96|AMBER)
|
| Ways to determine and generate a molecules. Default is to use GENERATE
|
| This optional keyword expects a keyword. Default value: PSF
|
| valid keywords: PSF: Use a PSF file to determine the connectivity. (support standard CHARMM/XPLOR and EXT CHARMM)
UPSF: Read a PSF file in an unformatted way (useful for not so standard PSF).
MOL_SET: Use multiple PSF (for now...) files to generate the whole sytem.
GENERATE: Use a simple distance criteria. (Look at keyword BONDPARM)
OFF: Do not generate molecules. (Use for QS or ill defined systems)
G87: Use GROMOS G87 topology file.
G96: Use GROMOS G96 topology file.
AMBER: Use AMBER topology file for reading connectivity (compatible starting from AMBER V.7)
|
| variants: CONNECTIVITY |